S322-0166 Screening compound: 1-(benzenesulfonyl)-3-[4-ethyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-1H-indole

S322-0166 Screening compound: 1-(benzenesulfonyl)-3-[4-ethyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-1H-indole
S322-0166 Screening compound: 1-(benzenesulfonyl)-3-[4-ethyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0166
1-(benzenesulfonyl)-3-[4-ethyl-5-({[3-(trifluoromethyl)phenyl]methyl}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

S322-0166

Molecular Formula

C26H21F3N4O2S2 (C26 H21 F3 N4 O2 S2)

Compound Name

1-(benzenesulfonyl)-3-[4-ethyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-1H-indole

IUPAC name

1-(benzenesulfonyl)-3-[4-ethyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-124-triazol-3-yl]-1H-indole

SMILES

CCn1c(SCc2cc(C(F)(F)F)ccc2)nnc1-c(c1c2cccc1)cn2S(c1ccccc1)(=O)=O

InChI

InChI=1S/C26H21F3N4O2S2/c1-2-32-24(30-31-25(32)36-17-18-9-8-10-19(15-18)26(27,28)29)22-16-33(23-14-7-6-13-21(22)23)37(34,35)20-11-4-3-5-12-20/h3-16H,2,17H2,1H3

InChI Key

MRASIMAGQFLMSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.023

Distribution Coefficient, logD

6.023

Water Solubility, LogSw

-5.86

Polar Surface Area

52.958

Acid Dissociation Constant (pKa)

19.54

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with S322-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0166?
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What is the minimum amount of S322-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0166
  • 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 S322-0166 available by request