D494-0734 Screening compound: 4-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl 4-methoxybenzoate

D494-0734 Screening compound: 4-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl 4-methoxybenzoate
D494-0734 Screening compound: 4-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl 4-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D494-0734
4-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl 4-methoxybenzoate

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

D494-0734

Molecular Formula

C25H20N6O3 (C25 H20 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H20N6O3/c1-16-14-22(31-25(27-16)29-23(30-31)18-4-3-13-26-15-18)28-19-7-11-21(12-8-19)34-24(32)17-5-9-20(33-2)10-6-17/h3-15,28H,1-2H3

InChI Key

ZGHDSMODHGZCDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27589519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.737

Distribution Coefficient, logD

3.594

Water Solubility, LogSw

-3.90

Polar Surface Area

77.280

Acid Dissociation Constant (pKa)

16.91

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

D494-0734 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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 D494-0734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D494-0734?
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What is the minimum amount of D494-0734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D494-0734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D494-0734
  • 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 D494-0734 available by request