C592-3005 Screening compound: 2-{[4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide

C592-3005 Screening compound: 2-{[4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
C592-3005 Screening compound: 2-{[4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-3005
2-{[4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]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

C592-3005

Molecular Formula

C21H20ClN5O2S (C21 H20 ClN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(Cc(n2-c(cc3)ccc3Cl)nnc2SCC(NCc2ccco2)=O)ccc1

InChI

InChI=1S/C21H20ClN5O2S/c1-26-10-2-4-17(26)12-19-24-25-21(27(19)16-8-6-15(22)7-9-16)30-14-20(28)23-13-18-5-3-11-29-18/h2-11H,12-14H2,1H3,(H,23,28)

InChI Key

YNPJDSIAOCZLHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05903156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.862

Distribution Coefficient, logD

3.862

Water Solubility, LogSw

-4.36

Polar Surface Area

60.807

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C592-3005 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Annotated Library (21441 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 C592-3005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-3005?
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What is the minimum amount of C592-3005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-3005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-3005
  • 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 C592-3005 available by request