S322-0323 Screening compound: 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

S322-0323 Screening compound: 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
S322-0323 Screening compound: 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0323
2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

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

S322-0323

Molecular Formula

C26H23N5O4S2 (C26 H23 N5 O4 S2)

Compound Name

2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

IUPAC name

2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-124-triazol-3-yl}sulfanyl)acetamide

SMILES

CCOc(cc1)ccc1-n1c(SCC(N)=O)nnc1-c(c1c2cccc1)cn2S(c1ccccc1)(=O)=O

InChI

InChI=1S/C26H23N5O4S2/c1-2-35-19-14-12-18(13-15-19)31-25(28-29-26(31)36-17-24(27)32)22-16-30(23-11-7-6-10-21(22)23)37(33,34)20-8-4-3-5-9-20/h3-16H,2,17H2,1H3,(H2,27,32)

InChI Key

VTFYHKXGYRWUEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.831

Distribution Coefficient, logD

3.831

Water Solubility, LogSw

-3.88

Polar Surface Area

94.488

Acid Dissociation Constant (pKa)

15.73

Base Dissociation Constant (pKb)

4.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

S322-0323 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S322-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0323?
Check Price and Availability of S322-0323, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S322-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0323
  • 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 S322-0323 available by request