D413-0269 Screening compound: N-{5,7-diphenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-methylbenzamide

D413-0269 Screening compound: N-{5,7-diphenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-methylbenzamide
D413-0269 Screening compound: N-{5,7-diphenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D413-0269
N-{5,7-diphenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-methylbenzamide

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

D413-0269

Molecular Formula

C25H21N5O (C25 H21 N5 O)

Compound Name

N-{5,7-diphenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-methylbenzamide

IUPAC name

N-{57-diphenyl-4H7H-[124]triazolo[15-a]pyrimidin-2-yl}-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(Nc1nn(C(C=C(c2ccccc2)N2)c3ccccc3)c2n1)=O

InChI

InChI=1S/C25H21N5O/c1-17-12-14-20(15-13-17)23(31)27-24-28-25-26-21(18-8-4-2-5-9-18)16-22(30(25)29-24)19-10-6-3-7-11-19/h2-16,22H,1H3,(H2,26,27,28,29,31)/t22-/m0/s1

InChI Key

ADKCUORTXGRMET-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03693387

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.370

Distribution Coefficient, logD

5.336

Water Solubility, LogSw

-5.60

Polar Surface Area

61.884

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.00

D413-0269 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Human Proteases Annotated Library (2868 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Mechanism of action:
  • PPI modulators
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D413-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D413-0269?
Check Price and Availability of D413-0269, 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 D413-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D413-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D413-0269
  • 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 D413-0269 available by request