K061-0398 Screening compound: 1-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidine

K061-0398 Screening compound: 1-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidine
K061-0398 Screening compound: 1-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0398
1-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidine

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

K061-0398

Molecular Formula

C19H17F3N4O2 (C19 H17 F3 N4 O2)

Compound Name

1-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidine

IUPAC name

1-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-3-carbonyl]pyrrolidine

SMILES

COc(cc1)ccc1-c(cc(C(F)(F)F)n1nc2)nc1c2C(N1CCCC1)=O

InChI

InChI=1S/C19H17F3N4O2/c1-28-13-6-4-12(5-7-13)15-10-16(19(20,21)22)26-17(24-15)14(11-23-26)18(27)25-8-2-3-9-25/h4-7,10-11H,2-3,8-9H2,1H3

InChI Key

BLPMCYGERRNQSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01194919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.792

Distribution Coefficient, logD

3.792

Water Solubility, LogSw

-3.84

Polar Surface Area

43.726

Acid Dissociation Constant (pKa)

26.20

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

K061-0398 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K061-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0398?
Check Price and Availability of K061-0398, 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 K061-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0398
  • 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 K061-0398 available by request