G629-0224 Screening compound: 4-({2-[(carbamoylmethyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-(3-methylbutyl)benzamide

G629-0224 Screening compound: 4-({2-[(carbamoylmethyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-(3-methylbutyl)benzamide
G629-0224 Screening compound: 4-({2-[(carbamoylmethyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-(3-methylbutyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G629-0224
4-({2-[(carbamoylmethyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-(3-methylbutyl)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

G629-0224

Molecular Formula

C23H26N4O3S (C23 H26 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H26N4O3S/c1-15(2)11-12-25-21(29)17-9-7-16(8-10-17)13-27-22(30)18-5-3-4-6-19(18)26-23(27)31-14-20(24)28/h3-10,15H,11-14H2,1-2H3,(H2,24,28)(H,25,29)

InChI Key

ZBOPATSMSBEHND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15023722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.528

Distribution Coefficient, logD

2.528

Water Solubility, LogSw

-2.99

Polar Surface Area

83.957

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

G629-0224 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G629-0224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G629-0224?
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What is the minimum amount of G629-0224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G629-0224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G629-0224
  • 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 G629-0224 available by request