D481-0812 Screening compound: N-[7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyridine-3-carboxamide

D481-0812 Screening compound: N-[7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyridine-3-carboxamide
D481-0812 Screening compound: N-[7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-0812
N-[7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyridine-3-carboxamide

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

D481-0812

Molecular Formula

C24H18ClFN6O (C24 H18 ClFN6 O)

Compound Name

N-[7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyridine-3-carboxamide

IUPAC name

N-[7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-4H7H-[124]triazolo[15-a]pyrimidin-2-yl]pyridine-3-carboxamide

SMILES

Cc(cc1)ccc1C1=CC(c(c(F)ccc2)c2Cl)n2nc(NC(c3cnccc3)=O)nc2N1

InChI

InChI=1S/C24H18ClFN6O/c1-14-7-9-15(10-8-14)19-12-20(21-17(25)5-2-6-18(21)26)32-24(28-19)30-23(31-32)29-22(33)16-4-3-11-27-13-16/h2-13,20H,1H3,(H2,28,29,30,31,33)/t20-/m0/s1

InChI Key

JDXRWKPTJJKDPU-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27588903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.623

Distribution Coefficient, logD

4.565

Water Solubility, LogSw

-4.73

Polar Surface Area

71.402

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

4.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.30

D481-0812 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral HBV Library (10007 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 D481-0812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-0812?
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What is the minimum amount of D481-0812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-0812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-0812
  • 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 D481-0812 available by request