S322-0276 Screening compound: 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide

S322-0276 Screening compound: 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide
S322-0276 Screening compound: 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0276
2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)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

S322-0276

Molecular Formula

C33H29N5O4S2 (C33 H29 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-(2-phenylethyl)acetamide

IUPAC name

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

SMILES

COc1cccc(-n2c(SCC(NCCc3ccccc3)=O)nnc2-c(c2c3cccc2)cn3S(c2ccccc2)(=O)=O)c1

InChI

InChI=1S/C33H29N5O4S2/c1-42-26-14-10-13-25(21-26)38-32(35-36-33(38)43-23-31(39)34-20-19-24-11-4-2-5-12-24)29-22-37(30-18-9-8-17-28(29)30)44(40,41)27-15-6-3-7-16-27/h2-18,21-22H,19-20,23H2,1H3,(H,34,39)

InChI Key

DWVHPSYLEBTSLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

623.76

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.212

Distribution Coefficient, logD

5.212

Water Solubility, LogSw

-5.12

Polar Surface Area

85.562

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.10

S322-0276 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with S322-0276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0276?
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What is the minimum amount of S322-0276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0276
  • 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 S322-0276 available by request