G629-0209 Screening compound: N-(3-methylbutyl)-4-{[4-oxo-2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-3,4-dihydroquinazolin-3-yl]methyl}benzamide

G629-0209 Screening compound: N-(3-methylbutyl)-4-{[4-oxo-2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-3,4-dihydroquinazolin-3-yl]methyl}benzamide
G629-0209 Screening compound: N-(3-methylbutyl)-4-{[4-oxo-2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-3,4-dihydroquinazolin-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G629-0209
N-(3-methylbutyl)-4-{[4-oxo-2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-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

G629-0209

Molecular Formula

C31H34N4O3S (C31 H34 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCNC(c1ccc(CN2C(SCC(NCCc3ccccc3)=O)=Nc(cccc3)c3C2=O)cc1)=O

InChI

InChI=1S/C31H34N4O3S/c1-22(2)16-18-33-29(37)25-14-12-24(13-15-25)20-35-30(38)26-10-6-7-11-27(26)34-31(35)39-21-28(36)32-19-17-23-8-4-3-5-9-23/h3-15,22H,16-21H2,1-2H3,(H,32,36)(H,33,37)

InChI Key

CDXMCLMTDKWBTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15023709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.7

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.145

Distribution Coefficient, logD

4.145

Water Solubility, LogSw

-4.21

Polar Surface Area

74.610

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

G629-0209 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 G629-0209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G629-0209?
Check Price and Availability of G629-0209, 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 G629-0209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G629-0209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G629-0209
  • 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 G629-0209 available by request