S322-0181 Screening compound: 1-(benzenesulfonyl)-3-[4-(4-methoxyphenyl)-5-[(3-methylbutyl)sulfanyl]-4H-1,2,4-triazol-3-yl]-1H-indole

S322-0181 Screening compound: 1-(benzenesulfonyl)-3-[4-(4-methoxyphenyl)-5-[(3-methylbutyl)sulfanyl]-4H-1,2,4-triazol-3-yl]-1H-indole
S322-0181 Screening compound: 1-(benzenesulfonyl)-3-[4-(4-methoxyphenyl)-5-[(3-methylbutyl)sulfanyl]-4H-1,2,4-triazol-3-yl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0181
1-(benzenesulfonyl)-3-[4-(4-methoxyphenyl)-5-[(3-methylbutyl)sulfanyl]-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

S322-0181

Molecular Formula

C28H28N4O3S2 (C28 H28 N4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCSc1nnc(-c(c2c3cccc2)cn3S(c2ccccc2)(=O)=O)n1-c(cc1)ccc1OC

InChI

InChI=1S/C28H28N4O3S2/c1-20(2)17-18-36-28-30-29-27(32(28)21-13-15-22(35-3)16-14-21)25-19-31(26-12-8-7-11-24(25)26)37(33,34)23-9-5-4-6-10-23/h4-16,19-20H,17-18H2,1-3H3

InChI Key

ONOUWYOIGGFFDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.69

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

6.196

Distribution Coefficient, logD

6.196

Water Solubility, LogSw

-5.84

Polar Surface Area

61.521

Acid Dissociation Constant (pKa)

25.82

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with S322-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0181?
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What is the minimum amount of S322-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0181
  • 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 S322-0181 available by request