D413-0261 Screening compound: N-{5,7-diphenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-3-phenylpropanamide

D413-0261 Screening compound: N-{5,7-diphenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-3-phenylpropanamide
D413-0261 Screening compound: N-{5,7-diphenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D413-0261
N-{5,7-diphenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-3-phenylpropanamide

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

D413-0261

Molecular Formula

C26H23N5O (C26 H23 N5 O)

Compound Name

N-{5,7-diphenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-3-phenylpropanamide

IUPAC name

N-{57-diphenyl-4H7H-[124]triazolo[15-a]pyrimidin-2-yl}-3-phenylpropanamide

SMILES

O=C(CCc1ccccc1)Nc1nn(C(C=C(c2ccccc2)N2)c3ccccc3)c2n1

InChI

InChI=1S/C26H23N5O/c32-24(17-16-19-10-4-1-5-11-19)28-25-29-26-27-22(20-12-6-2-7-13-20)18-23(31(26)30-25)21-14-8-3-9-15-21/h1-15,18,23H,16-17H2,(H2,27,28,29,30,32)/t23-/m0/s1

InChI Key

IXEXMCXSNPAMOV-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD04219475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.280

Distribution Coefficient, logD

5.276

Water Solubility, LogSw

-5.60

Polar Surface Area

61.671

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.50

D413-0261 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 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:
  • Antiviral
  • Infections
  • Immune system
  • 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 D413-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D413-0261?
Check Price and Availability of D413-0261, 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 D413-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D413-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D413-0261
  • 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 D413-0261 available by request