S322-0216 Screening compound: 1-(benzenesulfonyl)-3-(5-{[(4-bromophenyl)methyl]sulfanyl}-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)-1H-indole

S322-0216 Screening compound: 1-(benzenesulfonyl)-3-(5-{[(4-bromophenyl)methyl]sulfanyl}-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)-1H-indole
S322-0216 Screening compound: 1-(benzenesulfonyl)-3-(5-{[(4-bromophenyl)methyl]sulfanyl}-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0216
1-(benzenesulfonyl)-3-(5-{[(4-bromophenyl)methyl]sulfanyl}-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)-1H-indole

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

S322-0216

Molecular Formula

C26H23BrN4O3S2 (C26 H23 BrN4 O3 S2)

Compound Name

1-(benzenesulfonyl)-3-(5-{[(4-bromophenyl)methyl]sulfanyl}-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)-1H-indole

IUPAC name

1-(benzenesulfonyl)-3-(5-{[(4-bromophenyl)methyl]sulfanyl}-4-(2-methoxyethyl)-4H-124-triazol-3-yl)-1H-indole

SMILES

COCCn1c(SCc(cc2)ccc2Br)nnc1-c(c1c2cccc1)cn2S(c1ccccc1)(=O)=O

InChI

InChI=1S/C26H23BrN4O3S2/c1-34-16-15-30-25(28-29-26(30)35-18-19-11-13-20(27)14-12-19)23-17-31(24-10-6-5-9-22(23)24)36(32,33)21-7-3-2-4-8-21/h2-14,17H,15-16,18H2,1H3

InChI Key

HVXROWYUCBFOKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

583.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.396

Distribution Coefficient, logD

5.396

Water Solubility, LogSw

-5.63

Polar Surface Area

61.554

Acid Dissociation Constant (pKa)

19.25

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

S322-0216 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

KRAS-Targeted Library (16000 compounds)

MCL1 Targeted Library (12200 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with S322-0216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0216?
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What is the minimum amount of S322-0216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0216
  • 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 S322-0216 available by request