D413-0287 Screening compound: N-[5-(4-chlorophenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3,4-dimethoxybenzamide

D413-0287 Screening compound: N-[5-(4-chlorophenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3,4-dimethoxybenzamide
D413-0287 Screening compound: N-[5-(4-chlorophenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D413-0287
N-[5-(4-chlorophenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3,4-dimethoxybenzamide

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

D413-0287

Molecular Formula

C26H22ClN5O3 (C26 H22 ClN5 O3)

Compound Name

N-[5-(4-chlorophenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3,4-dimethoxybenzamide

IUPAC name

N-[5-(4-chlorophenyl)-7-phenyl-4H7H-[124]triazolo[15-a]pyrimidin-2-yl]-34-dimethoxybenzamide

SMILES

COc(ccc(C(Nc1nn(C(C=C(c(cc2)ccc2Cl)N2)c3ccccc3)c2n1)=O)c1)c1OC

InChI

InChI=1S/C26H22ClN5O3/c1-34-22-13-10-18(14-23(22)35-2)24(33)29-25-30-26-28-20(16-8-11-19(27)12-9-16)15-21(32(26)31-25)17-6-4-3-5-7-17/h3-15,21H,1-2H3,(H2,28,29,30,31,33)/t21-/m1/s1

InChI Key

FKRVLUSPODBQHY-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD04219534

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

487.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.271

Distribution Coefficient, logD

5.264

Water Solubility, LogSw

-6.03

Polar Surface Area

77.145

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.50

D413-0287 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 D413-0287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D413-0287?
Check Price and Availability of D413-0287, 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 D413-0287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D413-0287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D413-0287
  • 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 D413-0287 available by request