S322-0131 Screening compound: 1-(benzenesulfonyl)-3-{4-methyl-5-[(1-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1H-indole

S322-0131 Screening compound: 1-(benzenesulfonyl)-3-{4-methyl-5-[(1-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1H-indole
S322-0131 Screening compound: 1-(benzenesulfonyl)-3-{4-methyl-5-[(1-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0131
1-(benzenesulfonyl)-3-{4-methyl-5-[(1-phenylethyl)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

S322-0131

Molecular Formula

C25H22N4O2S2 (C25 H22 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(c1ccccc1)Sc1nnc(-c(c2c3cccc2)cn3S(c2ccccc2)(=O)=O)n1C

InChI

InChI=1S/C25H22N4O2S2/c1-18(19-11-5-3-6-12-19)32-25-27-26-24(28(25)2)22-17-29(23-16-10-9-15-21(22)23)33(30,31)20-13-7-4-8-14-20/h3-18H,1-2H3/t18-/m0/s1

InChI Key

CSUDJDHLZSGEAP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27618041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.264

Distribution Coefficient, logD

5.264

Water Solubility, LogSw

-5.34

Polar Surface Area

54.044

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

S322-0131 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with S322-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0131?
Check Price and Availability of S322-0131, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S322-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0131
  • 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 S322-0131 available by request