C592-3001 Screening compound: 2-{[4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclopentylacetamide

C592-3001 Screening compound: 2-{[4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclopentylacetamide
C592-3001 Screening compound: 2-{[4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-3001
2-{[4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclopentylacetamide

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

C592-3001

Molecular Formula

C21H24ClN5OS (C21 H24 ClN5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(Cc(n2-c(cc3)ccc3Cl)nnc2SCC(NC2CCCC2)=O)ccc1

InChI

InChI=1S/C21H24ClN5OS/c1-26-12-4-7-18(26)13-19-24-25-21(27(19)17-10-8-15(22)9-11-17)29-14-20(28)23-16-5-2-3-6-16/h4,7-12,16H,2-3,5-6,13-14H2,1H3,(H,23,28)

InChI Key

JDIBWRJBRLZXRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05903149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.871

Distribution Coefficient, logD

3.871

Water Solubility, LogSw

-4.34

Polar Surface Area

53.149

Acid Dissociation Constant (pKa)

16.51

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

C592-3001 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C592-3001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-3001?
Check Price and Availability of C592-3001, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C592-3001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-3001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-3001
  • 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 C592-3001 available by request