D481-0729 Screening compound: N-[7-(2-chloro-6-fluorophenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methoxybenzamide

D481-0729 Screening compound: N-[7-(2-chloro-6-fluorophenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methoxybenzamide
D481-0729 Screening compound: N-[7-(2-chloro-6-fluorophenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-0729
N-[7-(2-chloro-6-fluorophenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methoxybenzamide

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

D481-0729

Molecular Formula

C25H19ClFN5O2 (C25 H19 ClFN5 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1C(Nc1nn(C(C=C(c2ccccc2)N2)c(c(F)ccc3)c3Cl)c2n1)=O

InChI

InChI=1S/C25H19ClFN5O2/c1-34-17-12-10-16(11-13-17)23(33)29-24-30-25-28-20(15-6-3-2-4-7-15)14-21(32(25)31-24)22-18(26)8-5-9-19(22)27/h2-14,21H,1H3,(H2,28,29,30,31,33)/t21-/m0/s1

InChI Key

DBFQHKZZMAKWKR-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27588868

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

475.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.265

Distribution Coefficient, logD

5.251

Water Solubility, LogSw

-5.87

Polar Surface Area

69.428

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.00

D481-0729 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 D481-0729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-0729?
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What is the minimum amount of D481-0729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-0729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-0729
  • 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 D481-0729 available by request