D413-0257 Screening compound: N-{5,7-diphenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-2-phenylacetamide

D413-0257 Screening compound: N-{5,7-diphenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-2-phenylacetamide
D413-0257 Screening compound: N-{5,7-diphenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D413-0257
N-{5,7-diphenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-2-phenylacetamide

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

D413-0257

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}-2-phenylacetamide

IUPAC name

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

SMILES

O=C(Cc1ccccc1)Nc1nn(C(C=C(c2ccccc2)N2)c3ccccc3)c2n1

InChI

InChI=1S/C25H21N5O/c31-23(16-18-10-4-1-5-11-18)27-24-28-25-26-21(19-12-6-2-7-13-19)17-22(30(25)29-24)20-14-8-3-9-15-20/h1-15,17,22H,16H2,(H2,26,27,28,29,31)/t22-/m0/s1

InChI Key

OCHSVIMAKZFXCN-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD04346514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.793

Distribution Coefficient, logD

4.789

Water Solubility, LogSw

-4.87

Polar Surface Area

61.671

Acid Dissociation Constant (pKa)

9.47

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.00

D413-0257 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with D413-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D413-0257?
Check Price and Availability of D413-0257, 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 D413-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D413-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D413-0257
  • 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 D413-0257 available by request