S322-0188 Screening compound: 1-(benzenesulfonyl)-3-[4-(2,5-dimethoxyphenyl)-5-[(3-methylbutyl)sulfanyl]-4H-1,2,4-triazol-3-yl]-1H-indole

S322-0188 Screening compound: 1-(benzenesulfonyl)-3-[4-(2,5-dimethoxyphenyl)-5-[(3-methylbutyl)sulfanyl]-4H-1,2,4-triazol-3-yl]-1H-indole
S322-0188 Screening compound: 1-(benzenesulfonyl)-3-[4-(2,5-dimethoxyphenyl)-5-[(3-methylbutyl)sulfanyl]-4H-1,2,4-triazol-3-yl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0188
1-(benzenesulfonyl)-3-[4-(2,5-dimethoxyphenyl)-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

S322-0188

Molecular Formula

C29H30N4O4S2 (C29 H30 N4 O4 S2)

Compound Name

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

IUPAC name

1-(benzenesulfonyl)-3-[4-(25-dimethoxyphenyl)-5-[(3-methylbutyl)sulfanyl]-4H-124-triazol-3-yl]-1H-indole

SMILES

CC(C)CCSc1nnc(-c(c2c3cccc2)cn3S(c2ccccc2)(=O)=O)n1-c(cc(cc1)OC)c1OC

InChI

InChI=1S/C29H30N4O4S2/c1-20(2)16-17-38-29-31-30-28(33(29)26-18-21(36-3)14-15-27(26)37-4)24-19-32(25-13-9-8-12-23(24)25)39(34,35)22-10-6-5-7-11-22/h5-15,18-20H,16-17H2,1-4H3

InChI Key

GGKQEMQIPHXJMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.71

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.304

Distribution Coefficient, logD

6.304

Water Solubility, LogSw

-5.80

Polar Surface Area

68.850

Acid Dissociation Constant (pKa)

25.82

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with S322-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0188?
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What is the minimum amount of S322-0188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0188
  • 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 S322-0188 available by request