6069-0986 Screening compound: 2-(4-chlorophenyl)-7-(2-fluorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

6069-0986 Screening compound: 2-(4-chlorophenyl)-7-(2-fluorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
6069-0986 Screening compound: 2-(4-chlorophenyl)-7-(2-fluorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6069-0986
2-(4-chlorophenyl)-7-(2-fluorophenyl)-5-methyl-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

6069-0986

Molecular Formula

C19H15ClFN5O (C19 H15 ClFN5 O)

Compound Name

2-(4-chlorophenyl)-7-(2-fluorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

IUPAC name

2-(4-chlorophenyl)-7-(2-fluorophenyl)-5-methyl-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxamide

SMILES

CC(Nc1nc(-c(cc2)ccc2Cl)nn1C1c(cccc2)c2F)=C1C(N)=O

InChI

InChI=1S/C19H15ClFN5O/c1-10-15(17(22)27)16(13-4-2-3-5-14(13)21)26-19(23-10)24-18(25-26)11-6-8-12(20)9-7-11/h2-9,16H,1H3,(H2,22,27)(H,23,24,25)/t16-/m0/s1

InChI Key

COZPNHGSBVLPRD-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03545084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.773

Distribution Coefficient, logD

3.773

Water Solubility, LogSw

-4.46

Polar Surface Area

70.836

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.50

6069-0986 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6069-0986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6069-0986?
Check Price and Availability of 6069-0986, 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 6069-0986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6069-0986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6069-0986
  • 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 6069-0986 available by request