S322-0134 Screening compound: 1-(benzenesulfonyl)-3-[4-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-1H-indole

S322-0134 Screening compound: 1-(benzenesulfonyl)-3-[4-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-1H-indole
S322-0134 Screening compound: 1-(benzenesulfonyl)-3-[4-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0134
1-(benzenesulfonyl)-3-[4-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-1H-indole

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

S322-0134

Molecular Formula

C25H19F3N4O2S2 (C25 H19 F3 N4 O2 S2)

Compound Name

1-(benzenesulfonyl)-3-[4-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-1H-indole

IUPAC name

1-(benzenesulfonyl)-3-[4-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-124-triazol-3-yl]-1H-indole

SMILES

Cn1c(SCc2cc(C(F)(F)F)ccc2)nnc1-c(c1c2cccc1)cn2S(c1ccccc1)(=O)=O

InChI

InChI=1S/C25H19F3N4O2S2/c1-31-23(29-30-24(31)35-16-17-8-7-9-18(14-17)25(26,27)28)21-15-32(22-13-6-5-12-20(21)22)36(33,34)19-10-3-2-4-11-19/h2-15H,16H2,1H3

InChI Key

WYETVWWGSIKWRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.409

Distribution Coefficient, logD

5.409

Water Solubility, LogSw

-5.76

Polar Surface Area

54.044

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

3.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

S322-0134 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with S322-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0134?
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What is the minimum amount of S322-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0134
  • 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 S322-0134 available by request