S322-0179 Screening compound: 1-(benzenesulfonyl)-3-[5-(butylsulfanyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]-1H-indole

S322-0179 Screening compound: 1-(benzenesulfonyl)-3-[5-(butylsulfanyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]-1H-indole
S322-0179 Screening compound: 1-(benzenesulfonyl)-3-[5-(butylsulfanyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0179
1-(benzenesulfonyl)-3-[5-(butylsulfanyl)-4-(4-methoxyphenyl)-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

S322-0179

Molecular Formula

C27H26N4O3S2 (C27 H26 N4 O3 S2)

Compound Name

1-(benzenesulfonyl)-3-[5-(butylsulfanyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]-1H-indole

IUPAC name

1-(benzenesulfonyl)-3-[5-(butylsulfanyl)-4-(4-methoxyphenyl)-4H-124-triazol-3-yl]-1H-indole

SMILES

CCCCSc1nnc(-c(c2c3cccc2)cn3S(c2ccccc2)(=O)=O)n1-c(cc1)ccc1OC

InChI

InChI=1S/C27H26N4O3S2/c1-3-4-18-35-27-29-28-26(31(27)20-14-16-21(34-2)17-15-20)24-19-30(25-13-9-8-12-23(24)25)36(32,33)22-10-6-5-7-11-22/h5-17,19H,3-4,18H2,1-2H3

InChI Key

WVAZQCCEQUDBPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.66

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

6.141

Distribution Coefficient, logD

6.141

Water Solubility, LogSw

-5.77

Polar Surface Area

61.521

Acid Dissociation Constant (pKa)

26.11

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with S322-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0179?
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What is the minimum amount of S322-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0179
  • 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 S322-0179 available by request