S322-0236 Screening compound: 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethylphenyl)acetamide

S322-0236 Screening compound: 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethylphenyl)acetamide
S322-0236 Screening compound: 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0236
2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethylphenyl)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

S322-0236

Molecular Formula

C32H26FN5O3S2 (C32 H26 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-(4-ethylphenyl)acetamide

IUPAC name

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

SMILES

CCc(cc1)ccc1NC(CSc1nnc(-c(c2c3cccc2)cn3S(c2ccccc2)(=O)=O)n1-c(cc1)ccc1F)=O

InChI

InChI=1S/C32H26FN5O3S2/c1-2-22-12-16-24(17-13-22)34-30(39)21-42-32-36-35-31(38(32)25-18-14-23(33)15-19-25)28-20-37(29-11-7-6-10-27(28)29)43(40,41)26-8-4-3-5-9-26/h3-20H,2,21H2,1H3,(H,34,39)

InChI Key

AHDYNEMPUXYMCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

611.72

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

6.582

Distribution Coefficient, logD

6.582

Water Solubility, LogSw

-5.80

Polar Surface Area

76.855

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.40

S322-0236 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with S322-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0236?
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What is the minimum amount of S322-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0236
  • 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 S322-0236 available by request