S322-0118 Screening compound: 1-(benzenesulfonyl)-3-[5-(butan-2-ylsulfanyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]-1H-indole

S322-0118 Screening compound: 1-(benzenesulfonyl)-3-[5-(butan-2-ylsulfanyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]-1H-indole
S322-0118 Screening compound: 1-(benzenesulfonyl)-3-[5-(butan-2-ylsulfanyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0118
1-(benzenesulfonyl)-3-[5-(butan-2-ylsulfanyl)-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

S322-0118

Molecular Formula

C23H26N4O3S2 (C23 H26 N4 O3 S2)

Compound Name

1-(benzenesulfonyl)-3-[5-(butan-2-ylsulfanyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]-1H-indole

IUPAC name

1-(benzenesulfonyl)-3-[5-(butan-2-ylsulfanyl)-4-(2-methoxyethyl)-4H-124-triazol-3-yl]-1H-indole

SMILES

CCC(C)Sc1nnc(-c(c2c3cccc2)cn3S(c2ccccc2)(=O)=O)n1CCOC

InChI

InChI=1S/C23H26N4O3S2/c1-4-17(2)31-23-25-24-22(26(23)14-15-30-3)20-16-27(21-13-9-8-12-19(20)21)32(28,29)18-10-6-5-7-11-18/h5-13,16-17H,4,14-15H2,1-3H3/t17-/m0/s1

InChI Key

DFLXPPSMQMNMKG-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27618030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.62

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

4.595

Distribution Coefficient, logD

4.595

Water Solubility, LogSw

-4.18

Polar Surface Area

61.826

Acid Dissociation Constant (pKa)

19.25

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

S322-0118 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S322-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0118?
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What is the minimum amount of S322-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0118
  • 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 S322-0118 available by request