D494-0749 Screening compound: 4-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl cyclohexanecarboxylate

D494-0749 Screening compound: 4-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl cyclohexanecarboxylate
D494-0749 Screening compound: 4-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl cyclohexanecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D494-0749
4-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl cyclohexanecarboxylate

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

D494-0749

Molecular Formula

C24H24N6O2 (C24 H24 N6 O2)

Compound Name

4-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl cyclohexanecarboxylate

IUPAC name

4-{[5-methyl-2-(pyridin-3-yl)-[124]triazolo[15-a]pyrimidin-7-yl]amino}phenyl cyclohexanecarboxylate

SMILES

Cc1nc2nc(-c3cnccc3)nn2c(Nc(cc2)ccc2OC(C2CCCCC2)=O)c1

InChI

InChI=1S/C24H24N6O2/c1-16-14-21(30-24(26-16)28-22(29-30)18-8-5-13-25-15-18)27-19-9-11-20(12-10-19)32-23(31)17-6-3-2-4-7-17/h5,8-15,17,27H,2-4,6-7H2,1H3

InChI Key

XUYZHGNEMZZQCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27589532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.250

Distribution Coefficient, logD

4.107

Water Solubility, LogSw

-4.20

Polar Surface Area

69.928

Acid Dissociation Constant (pKa)

16.91

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

D494-0749 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D494-0749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D494-0749?
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What is the minimum amount of D494-0749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D494-0749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D494-0749
  • 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 D494-0749 available by request