K284-5912 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({8-oxo-6-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)benzamide

K284-5912 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({8-oxo-6-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)benzamide
K284-5912 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({8-oxo-6-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-5912
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({8-oxo-6-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)benzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K284-5912

Molecular Formula

C34H36N4O8S (C34 H36 N4 O8 S)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({8-oxo-6-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)benzamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-4-({8-oxo-6-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-2H7H8H-[13]dioxolo[45-g]quinazolin-7-yl}methyl)benzamide

SMILES

COc(ccc(CCNC(c1ccc(CN2C(SCC(NCC3OCCC3)=O)=Nc(cc3OCOc3c3)c3C2=O)cc1)=O)c1)c1OC

InChI

InChI=1S/C34H36N4O8S/c1-42-27-10-7-21(14-28(27)43-2)11-12-35-32(40)23-8-5-22(6-9-23)18-38-33(41)25-15-29-30(46-20-45-29)16-26(25)37-34(38)47-19-31(39)36-17-24-4-3-13-44-24/h5-10,14-16,24H,3-4,11-13,17-20H2,1-2H3,(H,35,40)(H,36,39)/t24-/m1/s1

InChI Key

MUCXEJWLZQNECO-XMMPIXPASA-N

MDL Number (MFCD)

MFCD15089104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

660.75

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.817

Distribution Coefficient, logD

2.817

Water Solubility, LogSw

-3.54

Polar Surface Area

115.528

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

K284-5912 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K284-5912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-5912?
Check Price and Availability of K284-5912, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K284-5912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-5912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-5912
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K284-5912 available by request