6239-0586 Screening compound: 2-methyl-5-[4-(propan-2-yloxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

6239-0586 Screening compound: 2-methyl-5-[4-(propan-2-yloxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
6239-0586 Screening compound: 2-methyl-5-[4-(propan-2-yloxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6239-0586
2-methyl-5-[4-(propan-2-yloxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

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

6239-0586

Molecular Formula

C18H15F3N4O (C18 H15 F3 N4 O)

Compound Name

2-methyl-5-[4-(propan-2-yloxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

IUPAC name

2-methyl-5-[4-(propan-2-yloxy)phenyl]-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-3-carbonitrile

SMILES

CC(C)Oc(cc1)ccc1-c(cc(C(F)(F)F)n1nc2C)nc1c2C#N

InChI

InChI=1S/C18H15F3N4O/c1-10(2)26-13-6-4-12(5-7-13)15-8-16(18(19,20)21)25-17(23-15)14(9-22)11(3)24-25/h4-8,10H,1-3H3

InChI Key

HTDFWDZWUYIBKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03862781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.194

Distribution Coefficient, logD

4.194

Water Solubility, LogSw

-4.47

Polar Surface Area

43.380

Acid Dissociation Constant (pKa)

28.56

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

6239-0586 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6239-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6239-0586?
Check Price and Availability of 6239-0586, 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 6239-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6239-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6239-0586
  • 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 6239-0586 available by request