S322-0285 Screening compound: 1-(benzenesulfonyl)-3-[4-(4-methoxyphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl]-1H-indole

S322-0285 Screening compound: 1-(benzenesulfonyl)-3-[4-(4-methoxyphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl]-1H-indole
S322-0285 Screening compound: 1-(benzenesulfonyl)-3-[4-(4-methoxyphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0285
1-(benzenesulfonyl)-3-[4-(4-methoxyphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]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

S322-0285

Molecular Formula

C32H26N4O3S2 (C32 H26 N4 O3 S2)

Compound Name

1-(benzenesulfonyl)-3-[4-(4-methoxyphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl]-1H-indole

IUPAC name

1-(benzenesulfonyl)-3-[4-(4-methoxyphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-124-triazol-3-yl]-1H-indole

SMILES

COc(cc1)ccc1-n1c(SC/C=C/c2ccccc2)nnc1-c(c1c2cccc1)cn2S(c1ccccc1)(=O)=O

InChI

InChI=1S/C32H26N4O3S2/c1-39-26-20-18-25(19-21-26)36-31(33-34-32(36)40-22-10-13-24-11-4-2-5-12-24)29-23-35(30-17-9-8-16-28(29)30)41(37,38)27-14-6-3-7-15-27/h2-21,23H,22H2,1H3

InChI Key

QAKAYJRDNOPYGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

578.72

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

6.925

Distribution Coefficient, logD

6.925

Water Solubility, LogSw

-6.08

Polar Surface Area

61.249

Acid Dissociation Constant (pKa)

26.97

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

References: we are preparing a list of scientific research reports with S322-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0285?
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What is the minimum amount of S322-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0285
  • 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 S322-0285 available by request