6069-0451 Screening compound: 7-(2-chlorophenyl)-5-methyl-2-phenyl-N-(pyridin-3-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

6069-0451 Screening compound: 7-(2-chlorophenyl)-5-methyl-2-phenyl-N-(pyridin-3-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
6069-0451 Screening compound: 7-(2-chlorophenyl)-5-methyl-2-phenyl-N-(pyridin-3-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6069-0451
7-(2-chlorophenyl)-5-methyl-2-phenyl-N-(pyridin-3-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

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

6069-0451

Molecular Formula

C24H19ClN6O (C24 H19 ClN6 O)

Compound Name

7-(2-chlorophenyl)-5-methyl-2-phenyl-N-(pyridin-3-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

IUPAC name

7-(2-chlorophenyl)-5-methyl-2-phenyl-N-(pyridin-3-yl)-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxamide

SMILES

CC(Nc1nc(-c2ccccc2)nn1C1c(cccc2)c2Cl)=C1C(Nc1cnccc1)=O

InChI

InChI=1S/C24H19ClN6O/c1-15-20(23(32)28-17-10-7-13-26-14-17)21(18-11-5-6-12-19(18)25)31-24(27-15)29-22(30-31)16-8-3-2-4-9-16/h2-14,21H,1H3,(H,28,32)(H,27,29,30)/t21-/m0/s1

InChI Key

XIIFFPVJZXFAJO-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02971505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.594

Distribution Coefficient, logD

4.594

Water Solubility, LogSw

-4.61

Polar Surface Area

69.386

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.30

6069-0451 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 6069-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6069-0451?
Check Price and Availability of 6069-0451, 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 6069-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6069-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6069-0451
  • 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 6069-0451 available by request