S322-0271 Screening compound: 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-benzylacetamide

S322-0271 Screening compound: 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-benzylacetamide
S322-0271 Screening compound: 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-benzylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0271
2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(3-methoxyphenyl)-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

S322-0271

Molecular Formula

C32H27N5O4S2 (C32 H27 N5 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(-n2c(SCC(NCc3ccccc3)=O)nnc2-c(c2c3cccc2)cn3S(c2ccccc2)(=O)=O)c1

InChI

InChI=1S/C32H27N5O4S2/c1-41-25-14-10-13-24(19-25)37-31(34-35-32(37)42-22-30(38)33-20-23-11-4-2-5-12-23)28-21-36(29-18-9-8-17-27(28)29)43(39,40)26-15-6-3-7-16-26/h2-19,21H,20,22H2,1H3,(H,33,38)

InChI Key

PKYAETNNJNMSAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

609.73

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.437

Distribution Coefficient, logD

5.437

Water Solubility, LogSw

-5.53

Polar Surface Area

85.721

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.40

S322-0271 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with S322-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0271?
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What is the minimum amount of S322-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0271
  • 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 S322-0271 available by request