D413-0019 Screening compound: N-[7-(4-chlorophenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide

D413-0019 Screening compound: N-[7-(4-chlorophenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide
D413-0019 Screening compound: N-[7-(4-chlorophenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D413-0019
N-[7-(4-chlorophenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide

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

D413-0019

Molecular Formula

C21H20ClN5O (C21 H20 ClN5 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)C(Nc1nn(C(C=C(c2ccccc2)N2)c(cc3)ccc3Cl)c2n1)=O

InChI

InChI=1S/C21H20ClN5O/c1-13(2)19(28)24-20-25-21-23-17(14-6-4-3-5-7-14)12-18(27(21)26-20)15-8-10-16(22)11-9-15/h3-13,18H,1-2H3,(H2,23,24,25,26,28)/t18-/m0/s1

InChI Key

GVSJEPPYNGVYLX-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27584887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.88

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

4.974

Distribution Coefficient, logD

4.972

Water Solubility, LogSw

-5.28

Polar Surface Area

62.156

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

D413-0019 in Drug Discovery

Included in Screening Libraries

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 D413-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D413-0019?
Check Price and Availability of D413-0019, 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 D413-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D413-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D413-0019
  • 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 D413-0019 available by request