K061-0869 Screening compound: methyl 2-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]benzoate

K061-0869 Screening compound: methyl 2-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]benzoate
K061-0869 Screening compound: methyl 2-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0869
methyl 2-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]benzoate

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

K061-0869

Molecular Formula

C22H13BrClF3N4O3 (C22 H13 BrClF3 N4 O3)

Compound Name

methyl 2-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]benzoate

IUPAC name

methyl 2-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-amido]benzoate

SMILES

COC(c(cccc1)c1NC(c1nn2c(C(F)(F)F)cc(-c(cc3)ccc3Br)nc2c1Cl)=O)=O

InChI

InChI=1S/C22H13BrClF3N4O3/c1-34-21(33)13-4-2-3-5-14(13)29-20(32)18-17(24)19-28-15(11-6-8-12(23)9-7-11)10-16(22(25,26)27)31(19)30-18/h2-10H,1H3,(H,29,32)

InChI Key

DGOHPYNMDCHHKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01528386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.72

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.341

Distribution Coefficient, logD

6.016

Water Solubility, LogSw

-6.34

Polar Surface Area

63.282

Acid Dissociation Constant (pKa)

7.35

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

K061-0869 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K061-0869 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0869?
Check Price and Availability of K061-0869, 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 K061-0869 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0869
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0869
  • 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 K061-0869 available by request