D481-0809 Screening compound: N-[7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide

D481-0809 Screening compound: N-[7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide
D481-0809 Screening compound: N-[7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-0809
N-[7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-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

D481-0809

Molecular Formula

C23H17ClFN5O2 (C23 H17 ClFN5 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C1=CC(c(c(F)ccc2)c2Cl)n2nc(NC(c3ccco3)=O)nc2N1

InChI

InChI=1S/C23H17ClFN5O2/c1-13-7-9-14(10-8-13)17-12-18(20-15(24)4-2-5-16(20)25)30-23(26-17)28-22(29-30)27-21(31)19-6-3-11-32-19/h2-12,18H,1H3,(H2,26,27,28,29,31)/t18-/m0/s1

InChI Key

JIFXWBHPDLTWLZ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27588901

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

449.87

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

5.084

Distribution Coefficient, logD

5.074

Water Solubility, LogSw

-5.43

Polar Surface Area

70.463

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

-3.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

D481-0809 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)

Therapeutical Diversity Annotated Library (7563 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D481-0809 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-0809?
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What is the minimum amount of D481-0809 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-0809
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-0809
  • 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 D481-0809 available by request