K284-5745 Screening compound: N-[(4-methoxyphenyl)methyl]-6-{8-oxo-6-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}hexanamide

K284-5745 Screening compound: N-[(4-methoxyphenyl)methyl]-6-{8-oxo-6-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}hexanamide
K284-5745 Screening compound: N-[(4-methoxyphenyl)methyl]-6-{8-oxo-6-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-5745
N-[(4-methoxyphenyl)methyl]-6-{8-oxo-6-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}hexanamide

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

K284-5745

Molecular Formula

C30H36N4O7S (C30 H36 N4 O7 S)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(CNC(CCCCCN2C(SCC(NCC3OCCC3)=O)=Nc(cc3OCOc3c3)c3C2=O)=O)cc1

InChI

InChI=1S/C30H36N4O7S/c1-38-21-10-8-20(9-11-21)16-31-27(35)7-3-2-4-12-34-29(37)23-14-25-26(41-19-40-25)15-24(23)33-30(34)42-18-28(36)32-17-22-6-5-13-39-22/h8-11,14-15,22H,2-7,12-13,16-19H2,1H3,(H,31,35)(H,32,36)/t22-/m1/s1

InChI Key

VIHNNOINBPBFBA-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD15088956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

596.7

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.752

Distribution Coefficient, logD

2.752

Water Solubility, LogSw

-3.43

Polar Surface Area

108.006

Acid Dissociation Constant (pKa)

14.02

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

K284-5745 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 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
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K284-5745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-5745?
Check Price and Availability of K284-5745, 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 K284-5745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-5745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-5745
  • 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 K284-5745 available by request