G857-0031 Screening compound: N-(3-chloro-2-methylphenyl)-2-[(2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)sulfanyl]acetamide

G857-0031 Screening compound: N-(3-chloro-2-methylphenyl)-2-[(2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)sulfanyl]acetamide
G857-0031 Screening compound: N-(3-chloro-2-methylphenyl)-2-[(2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-0031
N-(3-chloro-2-methylphenyl)-2-[(2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)sulfanyl]acetamide

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

G857-0031

Molecular Formula

C17H18ClN3O2S (C17 H18 ClN3 O2 S)

Compound Name

N-(3-chloro-2-methylphenyl)-2-[(2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)sulfanyl]acetamide

IUPAC name

N-(3-chloro-2-methylphenyl)-2-[(2-oxo-125678-hexahydroquinazolin-4-yl)sulfanyl]acetamide

SMILES

Cc(c(NC(CSC(C(CCCC1)=C1N1)=NC1=O)=O)ccc1)c1Cl

InChI

InChI=1S/C17H18ClN3O2S/c1-10-12(18)6-4-8-13(10)19-15(22)9-24-16-11-5-2-3-7-14(11)20-17(23)21-16/h4,6,8H,2-3,5,7,9H2,1H3,(H,19,22)(H,20,21,23)

InChI Key

UTQNNRSLPGWIKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07649870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.170

Distribution Coefficient, logD

3.141

Water Solubility, LogSw

-3.53

Polar Surface Area

54.843

Acid Dissociation Constant (pKa)

8.56

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

G857-0031 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G857-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-0031?
Check Price and Availability of G857-0031, 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 G857-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-0031
  • 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 G857-0031 available by request