C592-2742 Screening compound: N-[(2-chlorophenyl)methyl]-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

C592-2742 Screening compound: N-[(2-chlorophenyl)methyl]-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
C592-2742 Screening compound: N-[(2-chlorophenyl)methyl]-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-2742
N-[(2-chlorophenyl)methyl]-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-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

C592-2742

Molecular Formula

C23H22ClN5OS (C23 H22 ClN5 OS)

Compound Name

N-[(2-chlorophenyl)methyl]-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

IUPAC name

N-[(2-chlorophenyl)methyl]-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-124-triazol-3-yl}sulfanyl)acetamide

SMILES

Cn1c(Cc(n2-c3ccccc3)nnc2SCC(NCc(cccc2)c2Cl)=O)ccc1

InChI

InChI=1S/C23H22ClN5OS/c1-28-13-7-11-19(28)14-21-26-27-23(29(21)18-9-3-2-4-10-18)31-16-22(30)25-15-17-8-5-6-12-20(17)24/h2-13H,14-16H2,1H3,(H,25,30)

InChI Key

CUXPHMLLXLJTDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05903007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.177

Distribution Coefficient, logD

4.177

Water Solubility, LogSw

-4.37

Polar Surface Area

53.058

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

C592-2742 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C592-2742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-2742?
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What is the minimum amount of C592-2742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-2742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-2742
  • 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 C592-2742 available by request