S322-0278 Screening compound: benzyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate

S322-0278 Screening compound: benzyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
S322-0278 Screening compound: benzyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0278
benzyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate

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

S322-0278

Molecular Formula

C32H26N4O5S2 (C32 H26 N4 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-n1c(SCC(OCc2ccccc2)=O)nnc1-c(c1c2cccc1)cn2S(c1ccccc1)(=O)=O

InChI

InChI=1S/C32H26N4O5S2/c1-40-25-18-16-24(17-19-25)36-31(33-34-32(36)42-22-30(37)41-21-23-10-4-2-5-11-23)28-20-35(29-15-9-8-14-27(28)29)43(38,39)26-12-6-3-7-13-26/h2-20H,21-22H2,1H3

InChI Key

DBWQTRHFQGVAQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

610.71

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.086

Distribution Coefficient, logD

6.086

Water Solubility, LogSw

-5.66

Polar Surface Area

81.783

Acid Dissociation Constant (pKa)

19.38

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.40

S322-0278 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 S322-0278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0278?
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What is the minimum amount of S322-0278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0278
  • 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 S322-0278 available by request