S322-0197 Screening compound: 1-(benzenesulfonyl)-3-[4-(4-fluorophenyl)-5-(propylsulfanyl)-4H-1,2,4-triazol-3-yl]-1H-indole

S322-0197 Screening compound: 1-(benzenesulfonyl)-3-[4-(4-fluorophenyl)-5-(propylsulfanyl)-4H-1,2,4-triazol-3-yl]-1H-indole
S322-0197 Screening compound: 1-(benzenesulfonyl)-3-[4-(4-fluorophenyl)-5-(propylsulfanyl)-4H-1,2,4-triazol-3-yl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0197
1-(benzenesulfonyl)-3-[4-(4-fluorophenyl)-5-(propylsulfanyl)-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

S322-0197

Molecular Formula

C25H21FN4O2S2 (C25 H21 FN4 O2 S2)

Compound Name

1-(benzenesulfonyl)-3-[4-(4-fluorophenyl)-5-(propylsulfanyl)-4H-1,2,4-triazol-3-yl]-1H-indole

IUPAC name

1-(benzenesulfonyl)-3-[4-(4-fluorophenyl)-5-(propylsulfanyl)-4H-124-triazol-3-yl]-1H-indole

SMILES

CCCSc1nnc(-c(c2c3cccc2)cn3S(c2ccccc2)(=O)=O)n1-c(cc1)ccc1F

InChI

InChI=1S/C25H21FN4O2S2/c1-2-16-33-25-28-27-24(30(25)19-14-12-18(26)13-15-19)22-17-29(23-11-7-6-10-21(22)23)34(31,32)20-8-4-3-5-9-20/h3-15,17H,2,16H2,1H3

InChI Key

CPRDSCKIWRYQJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.6

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

5.503

Distribution Coefficient, logD

5.503

Water Solubility, LogSw

-5.67

Polar Surface Area

53.977

Acid Dissociation Constant (pKa)

26.40

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with S322-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0197?
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What is the minimum amount of S322-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0197
  • 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 S322-0197 available by request