S322-0299 Screening compound: 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-cyclohexylacetamide

S322-0299 Screening compound: 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-cyclohexylacetamide
S322-0299 Screening compound: 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0299
2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-cyclohexylacetamide

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

S322-0299

Molecular Formula

C31H31N5O4S2 (C31 H31 N5 O4 S2)

Compound Name

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

IUPAC name

2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-methoxyphenyl)-4H-124-triazol-3-yl}sulfanyl)-N-cyclohexylacetamide

SMILES

COc(cc1)ccc1-n1c(SCC(NC2CCCCC2)=O)nnc1-c(c1c2cccc1)cn2S(c1ccccc1)(=O)=O

InChI

InChI=1S/C31H31N5O4S2/c1-40-24-18-16-23(17-19-24)36-30(33-34-31(36)41-21-29(37)32-22-10-4-2-5-11-22)27-20-35(28-15-9-8-14-26(27)28)42(38,39)25-12-6-3-7-13-25/h3,6-9,12-20,22H,2,4-5,10-11,21H2,1H3,(H,32,37)

InChI Key

KUMCLRKSBBMMFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

601.75

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.501

Distribution Coefficient, logD

5.501

Water Solubility, LogSw

-5.44

Polar Surface Area

85.446

Acid Dissociation Constant (pKa)

15.85

Base Dissociation Constant (pKb)

5.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.80

References: we are preparing a list of scientific research reports with S322-0299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0299?
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What is the minimum amount of S322-0299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0299
  • 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 S322-0299 available by request