G629-0053 Screening compound: 4-({2-[({[(3-methoxyphenyl)methyl]carbamoyl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-propylbenzamide

G629-0053 Screening compound: 4-({2-[({[(3-methoxyphenyl)methyl]carbamoyl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-propylbenzamide
G629-0053 Screening compound: 4-({2-[({[(3-methoxyphenyl)methyl]carbamoyl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-propylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G629-0053
4-({2-[({[(3-methoxyphenyl)methyl]carbamoyl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-propylbenzamide

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

G629-0053

Molecular Formula

C29H30N4O4S (C29 H30 N4 O4 S)

Compound Name

4-({2-[({[(3-methoxyphenyl)methyl]carbamoyl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-propylbenzamide

IUPAC name

4-({2-[({[(3-methoxyphenyl)methyl]carbamoyl}methyl)sulfanyl]-4-oxo-34-dihydroquinazolin-3-yl}methyl)-N-propylbenzamide

SMILES

CCCNC(c1ccc(CN2C(SCC(NCc3cc(OC)ccc3)=O)=Nc(cccc3)c3C2=O)cc1)=O

InChI

InChI=1S/C29H30N4O4S/c1-3-15-30-27(35)22-13-11-20(12-14-22)18-33-28(36)24-9-4-5-10-25(24)32-29(33)38-19-26(34)31-17-21-7-6-8-23(16-21)37-2/h4-14,16H,3,15,17-19H2,1-2H3,(H,30,35)(H,31,34)

InChI Key

GBTAGIHLXCDMFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15023574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.65

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

3.667

Distribution Coefficient, logD

3.667

Water Solubility, LogSw

-3.91

Polar Surface Area

82.313

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

G629-0053 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 G629-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G629-0053?
Check Price and Availability of G629-0053, 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 G629-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G629-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G629-0053
  • 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 G629-0053 available by request