C592-2990 Screening compound: 2-{[4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one

C592-2990 Screening compound: 2-{[4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
C592-2990 Screening compound: 2-{[4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-2990
2-{[4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one

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

C592-2990

Molecular Formula

C20H22ClN5O2S (C20 H22 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}-1-(morpholin-4-yl)ethan-1-one

IUPAC name

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

SMILES

Cn1c(Cc(n2-c(cc3)ccc3Cl)nnc2SCC(N2CCOCC2)=O)ccc1

InChI

InChI=1S/C20H22ClN5O2S/c1-24-8-2-3-17(24)13-18-22-23-20(26(18)16-6-4-15(21)5-7-16)29-14-19(27)25-9-11-28-12-10-25/h2-8H,9-14H2,1H3

InChI Key

XCLMOZNUTNPKBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05903097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.534

Distribution Coefficient, logD

2.534

Water Solubility, LogSw

-2.92

Polar Surface Area

52.887

Acid Dissociation Constant (pKa)

20.35

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

C592-2990 in Drug Discovery

Included in Screening Libraries

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 C592-2990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-2990?
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What is the minimum amount of C592-2990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-2990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-2990
  • 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 C592-2990 available by request