D494-0424 Screening compound: 4-{[5-phenyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenol

D494-0424 Screening compound: 4-{[5-phenyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenol
D494-0424 Screening compound: 4-{[5-phenyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound D494-0424
4-{[5-phenyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenol

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

D494-0424

Molecular Formula

C22H16N6O (C22 H16 N6 O)

Compound Name

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

IUPAC name

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

SMILES

Oc(cc1)ccc1Nc1cc(-c2ccccc2)nc2nc(-c3cnccc3)nn12

InChI

InChI=1S/C22H16N6O/c29-18-10-8-17(9-11-18)24-20-13-19(15-5-2-1-3-6-15)25-22-26-21(27-28(20)22)16-7-4-12-23-14-16/h1-14,24,29H

InChI Key

QTNGXZIDFBQQTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27589400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.918

Distribution Coefficient, logD

3.774

Water Solubility, LogSw

-4.11

Polar Surface Area

66.897

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D494-0424 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with D494-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D494-0424?
Check Price and Availability of D494-0424, 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 D494-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D494-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D494-0424
  • 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 D494-0424 available by request