K284-5913 Screening compound: 4-[(6-{[(benzylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

K284-5913 Screening compound: 4-[(6-{[(benzylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
K284-5913 Screening compound: 4-[(6-{[(benzylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-5913
4-[(6-{[(benzylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]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

K284-5913

Molecular Formula

C36H34N4O7S (C36 H34 N4 O7 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(CCNC(c1ccc(CN2C(SCC(NCc3ccccc3)=O)=Nc(cc3OCOc3c3)c3C2=O)cc1)=O)c1)c1OC

InChI

InChI=1S/C36H34N4O7S/c1-44-29-13-10-23(16-30(29)45-2)14-15-37-34(42)26-11-8-25(9-12-26)20-40-35(43)27-17-31-32(47-22-46-31)18-28(27)39-36(40)48-21-33(41)38-19-24-6-4-3-5-7-24/h3-13,16-18H,14-15,19-22H2,1-2H3,(H,37,42)(H,38,41)

InChI Key

LLMJMQJBQPNBJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15089105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

666.75

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.362

Distribution Coefficient, logD

4.362

Water Solubility, LogSw

-4.27

Polar Surface Area

106.874

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

K284-5913 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

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

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K284-5913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-5913?
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What is the minimum amount of K284-5913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-5913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-5913
  • 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 K284-5913 available by request