G731-0365 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

G731-0365 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
G731-0365 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G731-0365
N-(5-chloro-2,4-dimethoxyphenyl)-2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-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

G731-0365

Molecular Formula

C18H16ClFN4O3S (C18 H16 ClFN4 O3 S)

Compound Name

N-(5-chloro-2,4-dimethoxyphenyl)-2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-(5-chloro-24-dimethoxyphenyl)-2-{[5-(4-fluorophenyl)-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

COc(c(NC(CSc1nnc(-c(cc2)ccc2F)[nH]1)=O)c1)cc(OC)c1Cl

InChI

InChI=1S/C18H16ClFN4O3S/c1-26-14-8-15(27-2)13(7-12(14)19)21-16(25)9-28-18-22-17(23-24-18)10-3-5-11(20)6-4-10/h3-8H,9H2,1-2H3,(H,21,25)(H,22,23,24)

InChI Key

BMXYOENONWZRQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15030840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.189

Distribution Coefficient, logD

1.997

Water Solubility, LogSw

-3.65

Polar Surface Area

70.186

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G731-0365 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G731-0365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G731-0365?
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What is the minimum amount of G731-0365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G731-0365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G731-0365
  • 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 G731-0365 available by request