D494-0502 Screening compound: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}ethan-1-one

D494-0502 Screening compound: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}ethan-1-one
D494-0502 Screening compound: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D494-0502
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}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

D494-0502

Molecular Formula

C23H23ClN8O (C23 H23 ClN8 O)

Compound Name

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}ethan-1-one

IUPAC name

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-{[5-methyl-2-(pyridin-3-yl)-[124]triazolo[15-a]pyrimidin-7-yl]amino}ethan-1-one

SMILES

Cc1nc2nc(-c3cnccc3)nn2c(NCC(N(CC2)CCN2c2cccc(Cl)c2)=O)c1

InChI

InChI=1S/C23H23ClN8O/c1-16-12-20(32-23(27-16)28-22(29-32)17-4-3-7-25-14-17)26-15-21(33)31-10-8-30(9-11-31)19-6-2-5-18(24)13-19/h2-7,12-14,26H,8-11,15H2,1H3

InChI Key

KYALRBFCNRZGLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27589445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.311

Distribution Coefficient, logD

2.169

Water Solubility, LogSw

-3.45

Polar Surface Area

70.333

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

D494-0502 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D494-0502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D494-0502?
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What is the minimum amount of D494-0502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D494-0502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D494-0502
  • 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 D494-0502 available by request