D481-0661 Screening compound: N-[7-(2-chlorophenyl)-5-(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methoxybenzamide

D481-0661 Screening compound: N-[7-(2-chlorophenyl)-5-(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methoxybenzamide
D481-0661 Screening compound: N-[7-(2-chlorophenyl)-5-(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-0661
N-[7-(2-chlorophenyl)-5-(4-chlorophenyl)-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

D481-0661

Molecular Formula

C25H19Cl2N5O2 (C25 H19 Cl2 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1C(Nc1nn(C(C=C(c(cc2)ccc2Cl)N2)c(cccc3)c3Cl)c2n1)=O

InChI

InChI=1S/C25H19Cl2N5O2/c1-34-18-12-8-16(9-13-18)23(33)29-24-30-25-28-21(15-6-10-17(26)11-7-15)14-22(32(25)31-24)19-4-2-3-5-20(19)27/h2-14,22H,1H3,(H2,28,29,30,31,33)/t22-/m0/s1

InChI Key

IKUPNALBOUPIRH-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27588838

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

492.36

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

6.165

Distribution Coefficient, logD

6.151

Water Solubility, LogSw

-6.14

Polar Surface Area

69.428

Acid Dissociation Constant (pKa)

8.18

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.00

D481-0661 in Drug Discovery

Included in Screening Libraries

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

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with D481-0661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-0661?
Check Price and Availability of D481-0661, 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 D481-0661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-0661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-0661
  • 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 D481-0661 available by request