G629-0098 Screening compound: 4-{[2-({[(3,5-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(propan-2-yl)benzamide

G629-0098 Screening compound: 4-{[2-({[(3,5-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(propan-2-yl)benzamide
G629-0098 Screening compound: 4-{[2-({[(3,5-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G629-0098
4-{[2-({[(3,5-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(propan-2-yl)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

G629-0098

Molecular Formula

C29H30N4O5S (C29 H30 N4 O5 S)

Compound Name

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

IUPAC name

4-{[2-({[(35-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-34-dihydroquinazolin-3-yl]methyl}-N-(propan-2-yl)benzamide

SMILES

CC(C)NC(c1ccc(CN2C(SCC(Nc3cc(OC)cc(OC)c3)=O)=Nc(cccc3)c3C2=O)cc1)=O

InChI

InChI=1S/C29H30N4O5S/c1-18(2)30-27(35)20-11-9-19(10-12-20)16-33-28(36)24-7-5-6-8-25(24)32-29(33)39-17-26(34)31-21-13-22(37-3)15-23(14-21)38-4/h5-15,18H,16-17H2,1-4H3,(H,30,35)(H,31,34)

InChI Key

LGTKRYHNPTYREK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15023616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.956

Distribution Coefficient, logD

3.955

Water Solubility, LogSw

-4.03

Polar Surface Area

87.667

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

G629-0098 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 G629-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G629-0098?
Check Price and Availability of G629-0098, 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 G629-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G629-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G629-0098
  • 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 G629-0098 available by request