G629-0191 Screening compound: N-cyclopentyl-4-{[2-({[(3-fluoro-4-methylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}benzamide

G629-0191 Screening compound: N-cyclopentyl-4-{[2-({[(3-fluoro-4-methylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}benzamide
G629-0191 Screening compound: N-cyclopentyl-4-{[2-({[(3-fluoro-4-methylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G629-0191
N-cyclopentyl-4-{[2-({[(3-fluoro-4-methylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-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

G629-0191

Molecular Formula

C30H29FN4O3S (C30 H29 FN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(NC(CSC(N1Cc(cc2)ccc2C(NC2CCCC2)=O)=Nc(cccc2)c2C1=O)=O)c1)c1F

InChI

InChI=1S/C30H29FN4O3S/c1-19-10-15-23(16-25(19)31)32-27(36)18-39-30-34-26-9-5-4-8-24(26)29(38)35(30)17-20-11-13-21(14-12-20)28(37)33-22-6-2-3-7-22/h4-5,8-16,22H,2-3,6-7,17-18H2,1H3,(H,32,36)(H,33,37)

InChI Key

BGTNPKBKLMWLPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15023696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.65

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

5.190

Distribution Coefficient, logD

5.189

Water Solubility, LogSw

-4.90

Polar Surface Area

73.425

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

G629-0191 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 G629-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G629-0191?
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What is the minimum amount of G629-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G629-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G629-0191
  • 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 G629-0191 available by request