G629-0151 Screening compound: N-cyclopropyl-4-{[2-({[(2,5-difluorophenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}benzamide

G629-0151 Screening compound: N-cyclopropyl-4-{[2-({[(2,5-difluorophenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}benzamide
G629-0151 Screening compound: N-cyclopropyl-4-{[2-({[(2,5-difluorophenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G629-0151
N-cyclopropyl-4-{[2-({[(2,5-difluorophenyl)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

G629-0151

Molecular Formula

C27H22F2N4O3S (C27 H22 F2 N4 O3 S)

Compound Name

N-cyclopropyl-4-{[2-({[(2,5-difluorophenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}benzamide

IUPAC name

N-cyclopropyl-4-{[2-({[(25-difluorophenyl)carbamoyl]methyl}sulfanyl)-4-oxo-34-dihydroquinazolin-3-yl]methyl}benzamide

SMILES

O=C(CSC(N1Cc(cc2)ccc2C(NC2CC2)=O)=Nc(cccc2)c2C1=O)Nc(cc(cc1)F)c1F

InChI

InChI=1S/C27H22F2N4O3S/c28-18-9-12-21(29)23(13-18)31-24(34)15-37-27-32-22-4-2-1-3-20(22)26(36)33(27)14-16-5-7-17(8-6-16)25(35)30-19-10-11-19/h1-9,12-13,19H,10-11,14-15H2,(H,30,35)(H,31,34)

InChI Key

PQHKAKOLOQLDTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15023661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.56

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

3.775

Distribution Coefficient, logD

3.769

Water Solubility, LogSw

-4.12

Polar Surface Area

72.692

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

G629-0151 in Drug Discovery

Included in Screening Libraries

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

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 G629-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G629-0151?
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What is the minimum amount of G629-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G629-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G629-0151
  • 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 G629-0151 available by request