G878-0194 Screening compound: 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide

G878-0194 Screening compound: 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
G878-0194 Screening compound: 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G878-0194
2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)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

G878-0194

Molecular Formula

C25H20FN5OS (C25 H20 FN5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(NC(CSc2nnc(-c3c[nH]c4c3cccc4)n2-c(cc2)ccc2F)=O)c1

InChI

InChI=1S/C25H20FN5OS/c1-16-5-4-6-18(13-16)28-23(32)15-33-25-30-29-24(31(25)19-11-9-17(26)10-12-19)21-14-27-22-8-3-2-7-20(21)22/h2-14,27H,15H2,1H3,(H,28,32)

InChI Key

QWTCOPHQUHOCLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05003193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.53

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

5.307

Distribution Coefficient, logD

5.307

Water Solubility, LogSw

-5.49

Polar Surface Area

57.733

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

References: we are preparing a list of scientific research reports with G878-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G878-0194?
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What is the minimum amount of G878-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G878-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G878-0194
  • 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 G878-0194 available by request