D413-0286 Screening compound: N-[5-(4-chlorophenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzamide

D413-0286 Screening compound: N-[5-(4-chlorophenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzamide
D413-0286 Screening compound: N-[5-(4-chlorophenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D413-0286
N-[5-(4-chlorophenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzamide

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

D413-0286

Molecular Formula

C25H20ClN5O (C25 H20 ClN5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(Nc1nn(C(C=C(c(cc2)ccc2Cl)N2)c3ccccc3)c2n1)=O

InChI

InChI=1S/C25H20ClN5O/c1-16-7-9-19(10-8-16)23(32)28-24-29-25-27-21(17-11-13-20(26)14-12-17)15-22(31(25)30-24)18-5-3-2-4-6-18/h2-15,22H,1H3,(H2,27,28,29,30,32)/t22-/m1/s1

InChI Key

WUWOYMKJWSZVAM-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD03691732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.070

Distribution Coefficient, logD

6.036

Water Solubility, LogSw

-6.29

Polar Surface Area

61.884

Acid Dissociation Constant (pKa)

7.77

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.00

D413-0286 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D413-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D413-0286?
Check Price and Availability of D413-0286, 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 D413-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D413-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D413-0286
  • 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 D413-0286 available by request