D481-0797 Screening compound: N-[7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methoxybenzamide

D481-0797 Screening compound: N-[7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methoxybenzamide
D481-0797 Screening compound: N-[7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-0797
N-[7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-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

D481-0797

Molecular Formula

C26H21ClFN5O2 (C26 H21 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]-4-methoxybenzamide

IUPAC name

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

SMILES

Cc(cc1)ccc1C1=CC(c(c(F)ccc2)c2Cl)n2nc(NC(c(cc3)ccc3OC)=O)nc2N1

InChI

InChI=1S/C26H21ClFN5O2/c1-15-6-8-16(9-7-15)21-14-22(23-19(27)4-3-5-20(23)28)33-26(29-21)31-25(32-33)30-24(34)17-10-12-18(35-2)13-11-17/h3-14,22H,1-2H3,(H2,29,30,31,32,34)/t22-/m0/s1

InChI Key

SKWFKZLNMADREB-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27588897

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

489.94

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

5.794

Distribution Coefficient, logD

5.780

Water Solubility, LogSw

-6.06

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

11.50

D481-0797 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D481-0797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-0797?
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What is the minimum amount of D481-0797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-0797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-0797
  • 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 D481-0797 available by request