S322-0212 Screening compound: 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide

S322-0212 Screening compound: 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide
S322-0212 Screening compound: 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0212
2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)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

S322-0212

Molecular Formula

C33H29N5O5S2 (C33 H29 N5 O5 S2)

Compound Name

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

IUPAC name

2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(25-dimethoxyphenyl)-4H-124-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide

SMILES

Cc(cccc1)c1NC(CSc1nnc(-c(c2c3cccc2)cn3S(c2ccccc2)(=O)=O)n1-c(cc(cc1)OC)c1OC)=O

InChI

InChI=1S/C33H29N5O5S2/c1-22-11-7-9-15-27(22)34-31(39)21-44-33-36-35-32(38(33)29-19-23(42-2)17-18-30(29)43-3)26-20-37(28-16-10-8-14-25(26)28)45(40,41)24-12-5-4-6-13-24/h4-20H,21H2,1-3H3,(H,34,39)

InChI Key

DMXJGKRDEKSRPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

639.76

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.508

Distribution Coefficient, logD

5.508

Water Solubility, LogSw

-5.54

Polar Surface Area

91.030

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.10

S322-0212 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S322-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0212?
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What is the minimum amount of S322-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0212
  • 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 S322-0212 available by request