S322-0183 Screening compound: methyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate

S322-0183 Screening compound: methyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate
S322-0183 Screening compound: methyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0183
methyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate

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

S322-0183

Molecular Formula

C28H26N4O5S2 (C28 H26 N4 O5 S2)

Compound Name

methyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate

IUPAC name

methyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-methoxyphenyl)-4H-124-triazol-3-yl}sulfanyl)butanoate

SMILES

CCC(C(OC)=O)Sc1nnc(-c(c2c3cccc2)cn3S(c2ccccc2)(=O)=O)n1-c(cc1)ccc1OC

InChI

InChI=1S/C28H26N4O5S2/c1-4-25(27(33)37-3)38-28-30-29-26(32(28)19-14-16-20(36-2)17-15-19)23-18-31(24-13-9-8-12-22(23)24)39(34,35)21-10-6-5-7-11-21/h5-18,25H,4H2,1-3H3/t25-/m0/s1

InChI Key

HIONAUWGZKEVLJ-VWLOTQADSA-N

MDL Number (MFCD)

MFCD27618084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.67

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.457

Distribution Coefficient, logD

5.457

Water Solubility, LogSw

-5.58

Polar Surface Area

82.695

Acid Dissociation Constant (pKa)

17.38

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with S322-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0183?
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What is the minimum amount of S322-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0183
  • 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 S322-0183 available by request