G629-0213 Screening compound: 4-{[2-({[(2-chlorophenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(3-methylbutyl)benzamide

G629-0213 Screening compound: 4-{[2-({[(2-chlorophenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(3-methylbutyl)benzamide
G629-0213 Screening compound: 4-{[2-({[(2-chlorophenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(3-methylbutyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G629-0213
4-{[2-({[(2-chlorophenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(3-methylbutyl)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

G629-0213

Molecular Formula

C29H29ClN4O3S (C29 H29 ClN4 O3 S)

Compound Name

4-{[2-({[(2-chlorophenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(3-methylbutyl)benzamide

IUPAC name

4-{[2-({[(2-chlorophenyl)carbamoyl]methyl}sulfanyl)-4-oxo-34-dihydroquinazolin-3-yl]methyl}-N-(3-methylbutyl)benzamide

SMILES

CC(C)CCNC(c1ccc(CN2C(SCC(Nc(cccc3)c3Cl)=O)=Nc(cccc3)c3C2=O)cc1)=O

InChI

InChI=1S/C29H29ClN4O3S/c1-19(2)15-16-31-27(36)21-13-11-20(12-14-21)17-34-28(37)22-7-3-5-9-24(22)33-29(34)38-18-26(35)32-25-10-6-4-8-23(25)30/h3-14,19H,15-18H2,1-2H3,(H,31,36)(H,32,35)

InChI Key

NBVGWSYSUMTGNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15023713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.09

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.740

Distribution Coefficient, logD

4.740

Water Solubility, LogSw

-4.75

Polar Surface Area

72.749

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

G629-0213 in Drug Discovery

Included in Screening Libraries

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 G629-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G629-0213?
Check Price and Availability of G629-0213, 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 G629-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G629-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G629-0213
  • 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 G629-0213 available by request