K061-0909 Screening compound: (4-benzoylpiperazino)[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

K061-0909 Screening compound: (4-benzoylpiperazino)[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
K061-0909 Screening compound: (4-benzoylpiperazino)[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0909
(4-benzoylpiperazino)[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

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

K061-0909

Molecular Formula

C25H18BrClF3N5O2 (C25 H18 BrClF3 N5 O2)

Compound Name

(4-benzoylpiperazino)[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

IUPAC name

1-benzoyl-4-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carbonyl]piperazine

SMILES

O=C(c1nn2c(C(F)(F)F)cc(-c(cc3)ccc3Br)nc2c1Cl)N(CC1)CCN1C(c1ccccc1)=O

InChI

InChI=1S/C25H18BrClF3N5O2/c26-17-8-6-15(7-9-17)18-14-19(25(28,29)30)35-22(31-18)20(27)21(32-35)24(37)34-12-10-33(11-13-34)23(36)16-4-2-1-3-5-16/h1-9,14H,10-13H2

InChI Key

WQUXTYDXCAJGRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01447284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

592.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.255

Distribution Coefficient, logD

5.255

Water Solubility, LogSw

-6.05

Polar Surface Area

52.819

Acid Dissociation Constant (pKa)

28.64

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K061-0909 in Drug Discovery

Included in Screening Libraries

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

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with K061-0909 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0909?
Check Price and Availability of K061-0909, 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 K061-0909 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0909
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0909
  • 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 K061-0909 available by request