G731-0428 Screening compound: 2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide

G731-0428 Screening compound: 2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
G731-0428 Screening compound: 2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G731-0428
2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]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

G731-0428

Molecular Formula

C17H15FN4OS2 (C17 H15 FN4 OS2)

Compound Name

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

IUPAC name

2-{[5-(4-fluorophenyl)-4H-124-triazol-3-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide

SMILES

CSc1cccc(NC(CSc2nnc(-c(cc3)ccc3F)[nH]2)=O)c1

InChI

InChI=1S/C17H15FN4OS2/c1-24-14-4-2-3-13(9-14)19-15(23)10-25-17-20-16(21-22-17)11-5-7-12(18)8-6-11/h2-9H,10H2,1H3,(H,19,23)(H,20,21,22)

InChI Key

VEXJPQBMQGNTLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15030857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.351

Distribution Coefficient, logD

2.159

Water Solubility, LogSw

-3.72

Polar Surface Area

55.623

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

G731-0428 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 G731-0428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G731-0428?
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What is the minimum amount of G731-0428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G731-0428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G731-0428
  • 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 G731-0428 available by request