G629-0090 Screening compound: 4-{[2-({[(2-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(propan-2-yl)benzamide

G629-0090 Screening compound: 4-{[2-({[(2-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(propan-2-yl)benzamide
G629-0090 Screening compound: 4-{[2-({[(2-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G629-0090
4-{[2-({[(2-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(propan-2-yl)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

G629-0090

Molecular Formula

C28H27ClN4O3S (C28 H27 ClN4 O3 S)

Compound Name

4-{[2-({[(2-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(propan-2-yl)benzamide

IUPAC name

4-{[2-({[(2-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-34-dihydroquinazolin-3-yl]methyl}-N-(propan-2-yl)benzamide

SMILES

CC(C)NC(c1ccc(CN2C(SCC(Nc(ccc(C)c3)c3Cl)=O)=Nc(cccc3)c3C2=O)cc1)=O

InChI

InChI=1S/C28H27ClN4O3S/c1-17(2)30-26(35)20-11-9-19(10-12-20)15-33-27(36)21-6-4-5-7-23(21)32-28(33)37-16-25(34)31-24-13-8-18(3)14-22(24)29/h4-14,17H,15-16H2,1-3H3,(H,30,35)(H,31,34)

InChI Key

PCAUPULPJZLMFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15023608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.07

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.540

Distribution Coefficient, logD

4.540

Water Solubility, LogSw

-4.53

Polar Surface Area

71.882

Acid Dissociation Constant (pKa)

11.01

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

G629-0090 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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 G629-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G629-0090?
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What is the minimum amount of G629-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G629-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G629-0090
  • 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 G629-0090 available by request