G629-0157 Screening compound: N-cyclopropyl-4-({2-[({[(3-methoxyphenyl)methyl]carbamoyl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)benzamide

G629-0157 Screening compound: N-cyclopropyl-4-({2-[({[(3-methoxyphenyl)methyl]carbamoyl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)benzamide
G629-0157 Screening compound: N-cyclopropyl-4-({2-[({[(3-methoxyphenyl)methyl]carbamoyl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G629-0157
N-cyclopropyl-4-({2-[({[(3-methoxyphenyl)methyl]carbamoyl}methyl)sulfanyl]-4-oxo-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

G629-0157

Molecular Formula

C29H28N4O4S (C29 H28 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(CNC(CSC(N2Cc(cc3)ccc3C(NC3CC3)=O)=Nc(cccc3)c3C2=O)=O)c1

InChI

InChI=1S/C29H28N4O4S/c1-37-23-6-4-5-20(15-23)16-30-26(34)18-38-29-32-25-8-3-2-7-24(25)28(36)33(29)17-19-9-11-21(12-10-19)27(35)31-22-13-14-22/h2-12,15,22H,13-14,16-18H2,1H3,(H,30,34)(H,31,35)

InChI Key

BPKLPBCMVSUTQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15023665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.387

Distribution Coefficient, logD

3.387

Water Solubility, LogSw

-3.93

Polar Surface Area

82.256

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

G629-0157 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 G629-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G629-0157?
Check Price and Availability of G629-0157, 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 G629-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G629-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G629-0157
  • 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 G629-0157 available by request