S322-0211 Screening compound: 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-benzylacetamide

S322-0211 Screening compound: 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-benzylacetamide
S322-0211 Screening compound: 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-benzylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0211
2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-benzylacetamide

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

S322-0211

Molecular Formula

C31H24FN5O3S2 (C31 H24 FN5 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nnc(-c(c2c3cccc2)cn3S(c2ccccc2)(=O)=O)n1-c(cc1)ccc1F)NCc1ccccc1

InChI

InChI=1S/C31H24FN5O3S2/c32-23-15-17-24(18-16-23)37-30(34-35-31(37)41-21-29(38)33-19-22-9-3-1-4-10-22)27-20-36(28-14-8-7-13-26(27)28)42(39,40)25-11-5-2-6-12-25/h1-18,20H,19,21H2,(H,33,38)

InChI Key

NSBDVNRIVIMYIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

597.69

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.333

Distribution Coefficient, logD

5.333

Water Solubility, LogSw

-5.68

Polar Surface Area

78.177

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.50

References: we are preparing a list of scientific research reports with S322-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0211?
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What is the minimum amount of S322-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0211
  • 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 S322-0211 available by request