D494-0505 Screening compound: 2-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}-1-[4-(3-methylphenyl)piperazin-1-yl]ethan-1-one

D494-0505 Screening compound: 2-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}-1-[4-(3-methylphenyl)piperazin-1-yl]ethan-1-one
D494-0505 Screening compound: 2-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}-1-[4-(3-methylphenyl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D494-0505
2-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}-1-[4-(3-methylphenyl)piperazin-1-yl]ethan-1-one

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

D494-0505

Molecular Formula

C24H26N8O (C24 H26 N8 O)

Compound Name

2-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}-1-[4-(3-methylphenyl)piperazin-1-yl]ethan-1-one

IUPAC name

2-{[5-methyl-2-(pyridin-3-yl)-[124]triazolo[15-a]pyrimidin-7-yl]amino}-1-[4-(3-methylphenyl)piperazin-1-yl]ethan-1-one

SMILES

Cc1cccc(N(CC2)CCN2C(CNc2cc(C)nc3nc(-c4cnccc4)nn23)=O)c1

InChI

InChI=1S/C24H26N8O/c1-17-5-3-7-20(13-17)30-9-11-31(12-10-30)22(33)16-26-21-14-18(2)27-24-28-23(29-32(21)24)19-6-4-8-25-15-19/h3-8,13-15,26H,9-12,16H2,1-2H3

InChI Key

NACLCMUKRXBJTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27589446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.170

Distribution Coefficient, logD

2.027

Water Solubility, LogSw

-2.26

Polar Surface Area

70.333

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

D494-0505 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D494-0505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D494-0505?
Check Price and Availability of D494-0505, 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 D494-0505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D494-0505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D494-0505
  • 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 D494-0505 available by request