D494-0754 Screening compound: 4-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl 3,4-dimethylbenzoate

D494-0754 Screening compound: 4-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl 3,4-dimethylbenzoate
D494-0754 Screening compound: 4-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl 3,4-dimethylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D494-0754
4-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl 3,4-dimethylbenzoate

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

D494-0754

Molecular Formula

C26H22N6O2 (C26 H22 N6 O2)

Compound Name

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

IUPAC name

4-{[5-methyl-2-(pyridin-3-yl)-[124]triazolo[15-a]pyrimidin-7-yl]amino}phenyl 34-dimethylbenzoate

SMILES

Cc(cc1)c(C)cc1C(Oc(cc1)ccc1Nc1cc(C)nc2nc(-c3cnccc3)nn12)=O

InChI

InChI=1S/C26H22N6O2/c1-16-6-7-19(13-17(16)2)25(33)34-22-10-8-21(9-11-22)29-23-14-18(3)28-26-30-24(31-32(23)26)20-5-4-12-27-15-20/h4-15,29H,1-3H3

InChI Key

YVVHHDUMDUTTKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27589537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.5

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

4.620

Distribution Coefficient, logD

4.477

Water Solubility, LogSw

-4.20

Polar Surface Area

69.736

Acid Dissociation Constant (pKa)

16.91

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

D494-0754 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 D494-0754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D494-0754?
Check Price and Availability of D494-0754, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D494-0754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D494-0754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D494-0754
  • 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 D494-0754 available by request