K061-0302 Screening compound: 5-(4-fluorophenyl)-N-[3-nitro-5-(pyridin-3-yloxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

K061-0302 Screening compound: 5-(4-fluorophenyl)-N-[3-nitro-5-(pyridin-3-yloxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
K061-0302 Screening compound: 5-(4-fluorophenyl)-N-[3-nitro-5-(pyridin-3-yloxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0302
5-(4-fluorophenyl)-N-[3-nitro-5-(pyridin-3-yloxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-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

K061-0302

Molecular Formula

C25H14F4N6O4 (C25 H14 F4 N6 O4)

Compound Name

5-(4-fluorophenyl)-N-[3-nitro-5-(pyridin-3-yloxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

5-(4-fluorophenyl)-N-[3-nitro-5-(pyridin-3-yloxy)phenyl]-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

[O-][N+](c1cc(NC(c2nn3c(C(F)(F)F)cc(-c(cc4)ccc4F)nc3c2)=O)cc(Oc2cnccc2)c1)=O

InChI

InChI=1S/C25H14F4N6O4/c26-15-5-3-14(4-6-15)20-11-22(25(27,28)29)34-23(32-20)12-21(33-34)24(36)31-16-8-17(35(37)38)10-19(9-16)39-18-2-1-7-30-13-18/h1-13H,(H,31,36)

InChI Key

RTFXQQKKWQZDFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01194371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.642

Distribution Coefficient, logD

5.639

Water Solubility, LogSw

-5.67

Polar Surface Area

91.136

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

K061-0302 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with K061-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0302?
Check Price and Availability of K061-0302, 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 K061-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0302
  • 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 K061-0302 available by request