G629-0286 Screening compound: 4-({2-[({[(4-fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-(2-methoxyethyl)benzamide

G629-0286 Screening compound: 4-({2-[({[(4-fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-(2-methoxyethyl)benzamide
G629-0286 Screening compound: 4-({2-[({[(4-fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-(2-methoxyethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G629-0286
4-({2-[({[(4-fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-(2-methoxyethyl)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

G629-0286

Molecular Formula

C28H27FN4O4S (C28 H27 FN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COCCNC(c1ccc(CN2C(SCC(NCc(cc3)ccc3F)=O)=Nc(cccc3)c3C2=O)cc1)=O

InChI

InChI=1S/C28H27FN4O4S/c1-37-15-14-30-26(35)21-10-6-20(7-11-21)17-33-27(36)23-4-2-3-5-24(23)32-28(33)38-18-25(34)31-16-19-8-12-22(29)13-9-19/h2-13H,14-18H2,1H3,(H,30,35)(H,31,34)

InChI Key

PVXBEGLYTIZGAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15023770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.866

Distribution Coefficient, logD

2.866

Water Solubility, LogSw

-3.67

Polar Surface Area

83.111

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

G629-0286 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G629-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G629-0286?
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What is the minimum amount of G629-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G629-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G629-0286
  • 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 G629-0286 available by request