C592-2595 Screening compound: 2-{[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide

C592-2595 Screening compound: 2-{[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
C592-2595 Screening compound: 2-{[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-2595
2-{[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide

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

C592-2595

Molecular Formula

C26H23N5O3S (C26 H23 N5 O3 S)

Compound Name

2-{[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide

IUPAC name

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

SMILES

COc(cc1)cc(-n2c(SCC(Nc3ccccc3)=O)nnc2-c2c[nH]c3c2cccc3)c1OC

InChI

InChI=1S/C26H23N5O3S/c1-33-18-12-13-23(34-2)22(14-18)31-25(20-15-27-21-11-7-6-10-19(20)21)29-30-26(31)35-16-24(32)28-17-8-4-3-5-9-17/h3-15,27H,16H2,1-2H3,(H,28,32)

InChI Key

PDDBTYNMQBKKHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05003030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.816

Distribution Coefficient, logD

4.816

Water Solubility, LogSw

-4.74

Polar Surface Area

72.606

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with C592-2595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-2595?
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What is the minimum amount of C592-2595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-2595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-2595
  • 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 C592-2595 available by request