S322-0257 Screening compound: 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-ethoxyphenyl)acetamide

S322-0257 Screening compound: 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-ethoxyphenyl)acetamide
S322-0257 Screening compound: 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0257
2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-ethoxyphenyl)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

S322-0257

Molecular Formula

C32H26FN5O4S2 (C32 H26 FN5 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cccc1)c1NC(CSc1nnc(-c(c2c3cccc2)cn3S(c2ccccc2)(=O)=O)n1-c(cc1)ccc1F)=O

InChI

InChI=1S/C32H26FN5O4S2/c1-2-42-29-15-9-7-13-27(29)34-30(39)21-43-32-36-35-31(38(32)23-18-16-22(33)17-19-23)26-20-37(28-14-8-6-12-25(26)28)44(40,41)24-10-4-3-5-11-24/h3-20H,2,21H2,1H3,(H,34,39)

InChI Key

SGQCHUBPOUXKGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

627.72

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

5.826

Distribution Coefficient, logD

5.826

Water Solubility, LogSw

-5.63

Polar Surface Area

83.367

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.40

S322-0257 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S322-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0257?
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What is the minimum amount of S322-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0257
  • 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 S322-0257 available by request