D481-0631 Screening compound: N-[7-(2-chlorophenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-fluorobenzamide

D481-0631 Screening compound: N-[7-(2-chlorophenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-fluorobenzamide
D481-0631 Screening compound: N-[7-(2-chlorophenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-0631
N-[7-(2-chlorophenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-fluorobenzamide

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

D481-0631

Molecular Formula

C24H17ClFN5O (C24 H17 ClFN5 O)

Compound Name

N-[7-(2-chlorophenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-fluorobenzamide

IUPAC name

N-[7-(2-chlorophenyl)-5-phenyl-4H7H-[124]triazolo[15-a]pyrimidin-2-yl]-2-fluorobenzamide

SMILES

O=C(c(cccc1)c1F)Nc1nn(C(C=C(c2ccccc2)N2)c(cccc3)c3Cl)c2n1

InChI

InChI=1S/C24H17ClFN5O/c25-18-12-6-4-10-16(18)21-14-20(15-8-2-1-3-9-15)27-24-29-23(30-31(21)24)28-22(32)17-11-5-7-13-19(17)26/h1-14,21H,(H2,27,28,29,30,32)/t21-/m0/s1

InChI Key

QHGKKIRLWZKVKG-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27588825

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

445.88

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

5.465

Distribution Coefficient, logD

5.270

Water Solubility, LogSw

-5.90

Polar Surface Area

61.884

Acid Dissociation Constant (pKa)

7.64

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.20

D481-0631 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D481-0631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-0631?
Check Price and Availability of D481-0631, 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 D481-0631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-0631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-0631
  • 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 D481-0631 available by request