G878-0191 Screening compound: 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide

G878-0191 Screening compound: 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
G878-0191 Screening compound: 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G878-0191
2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide

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

G878-0191

Molecular Formula

C24H18FN5OS (C24 H18 FN5 OS)

Compound Name

2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide

IUPAC name

2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-124-triazol-3-yl]sulfanyl}-N-phenylacetamide

SMILES

O=C(CSc1nnc(-c2c[nH]c3c2cccc3)n1-c(cc1)ccc1F)Nc1ccccc1

InChI

InChI=1S/C24H18FN5OS/c25-16-10-12-18(13-11-16)30-23(20-14-26-21-9-5-4-8-19(20)21)28-29-24(30)32-15-22(31)27-17-6-2-1-3-7-17/h1-14,26H,15H2,(H,27,31)

InChI Key

VHKKYOKKRDJCDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05003190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.755

Distribution Coefficient, logD

4.755

Water Solubility, LogSw

-4.96

Polar Surface Area

57.733

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

References: we are preparing a list of scientific research reports with G878-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G878-0191?
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What is the minimum amount of G878-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G878-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G878-0191
  • 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 G878-0191 available by request