S322-0246 Screening compound: ethyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanoate

S322-0246 Screening compound: ethyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanoate
S322-0246 Screening compound: ethyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0246
ethyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanoate

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

S322-0246

Molecular Formula

C29H28N4O5S2 (C29 H28 N4 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C)Sc1nnc(-c(c2c3cccc2)cn3S(c2ccccc2)(=O)=O)n1-c(cc1)ccc1OCC)=O

InChI

InChI=1S/C29H28N4O5S2/c1-4-37-22-17-15-21(16-18-22)33-27(30-31-29(33)39-20(3)28(34)38-5-2)25-19-32(26-14-10-9-13-24(25)26)40(35,36)23-11-7-6-8-12-23/h6-20H,4-5H2,1-3H3/t20-/m0/s1

InChI Key

PXNOLEOGTGLEQB-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27618136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

576.7

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.768

Distribution Coefficient, logD

5.768

Water Solubility, LogSw

-5.62

Polar Surface Area

81.854

Acid Dissociation Constant (pKa)

17.60

Base Dissociation Constant (pKb)

1.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

References: we are preparing a list of scientific research reports with S322-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0246?
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What is the minimum amount of S322-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0246
  • 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 S322-0246 available by request