D494-0417 Screening compound: 1-(2-methoxyphenyl)-4-[5-phenyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine

D494-0417 Screening compound: 1-(2-methoxyphenyl)-4-[5-phenyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine
D494-0417 Screening compound: 1-(2-methoxyphenyl)-4-[5-phenyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D494-0417
1-(2-methoxyphenyl)-4-[5-phenyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine

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

D494-0417

Molecular Formula

C27H25N7O (C27 H25 N7 O)

Compound Name

1-(2-methoxyphenyl)-4-[5-phenyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine

IUPAC name

1-(2-methoxyphenyl)-4-[5-phenyl-2-(pyridin-3-yl)-[124]triazolo[15-a]pyrimidin-7-yl]piperazine

SMILES

COc(cccc1)c1N(CC1)CCN1c1cc(-c2ccccc2)nc2nc(-c3cnccc3)nn12

InChI

InChI=1S/C27H25N7O/c1-35-24-12-6-5-11-23(24)32-14-16-33(17-15-32)25-18-22(20-8-3-2-4-9-20)29-27-30-26(31-34(25)27)21-10-7-13-28-19-21/h2-13,18-19H,14-17H2,1H3

InChI Key

CIHAEHDDOGZOCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27589397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.777

Distribution Coefficient, logD

4.402

Water Solubility, LogSw

-4.41

Polar Surface Area

53.147

Acid Dissociation Constant (pKa)

24.61

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

D494-0417 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D494-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D494-0417?
Check Price and Availability of D494-0417, 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 D494-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D494-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D494-0417
  • 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 D494-0417 available by request