S322-0225 Screening compound: methyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate

S322-0225 Screening compound: methyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate
S322-0225 Screening compound: methyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0225
methyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(2,5-dimethoxyphenyl)-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

S322-0225

Molecular Formula

C29H28N4O6S2 (C29 H28 N4 O6 S2)

Compound Name

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

IUPAC name

methyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(25-dimethoxyphenyl)-4H-124-triazol-3-yl}sulfanyl)butanoate

SMILES

CCC(C(OC)=O)Sc1nnc(-c(c2c3cccc2)cn3S(c2ccccc2)(=O)=O)n1-c(cc(cc1)OC)c1OC

InChI

InChI=1S/C29H28N4O6S2/c1-5-26(28(34)39-4)40-29-31-30-27(33(29)24-17-19(37-2)15-16-25(24)38-3)22-18-32(23-14-10-9-13-21(22)23)41(35,36)20-11-7-6-8-12-20/h6-18,26H,5H2,1-4H3/t26-/m0/s1

InChI Key

OISQNQUZGCQHQD-SANMLTNESA-N

MDL Number (MFCD)

MFCD27618119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

592.7

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.565

Distribution Coefficient, logD

5.565

Water Solubility, LogSw

-5.59

Polar Surface Area

90.024

Acid Dissociation Constant (pKa)

17.38

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

References: we are preparing a list of scientific research reports with S322-0225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0225?
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What is the minimum amount of S322-0225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0225
  • 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 S322-0225 available by request