K061-0036 Screening compound: N-[4-chloro-2-(3,4,5-trimethoxybenzoyl)phenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

K061-0036 Screening compound: N-[4-chloro-2-(3,4,5-trimethoxybenzoyl)phenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
K061-0036 Screening compound: N-[4-chloro-2-(3,4,5-trimethoxybenzoyl)phenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0036
N-[4-chloro-2-(3,4,5-trimethoxybenzoyl)phenyl]-5-(thiophen-2-yl)-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

K061-0036

Molecular Formula

C28H20ClF3N4O5S (C28 H20 ClF3 N4 O5 S)

Compound Name

N-[4-chloro-2-(3,4,5-trimethoxybenzoyl)phenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

N-[4-chloro-2-(345-trimethoxybenzoyl)phenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

COc1cc(C(c(cc(cc2)Cl)c2NC(c2nn3c(C(F)(F)F)cc(-c4cccs4)nc3c2)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C28H20ClF3N4O5S/c1-39-20-9-14(10-21(40-2)26(20)41-3)25(37)16-11-15(29)6-7-17(16)34-27(38)19-13-24-33-18(22-5-4-8-42-22)12-23(28(30,31)32)36(24)35-19/h4-13H,1-3H3,(H,34,38)

InChI Key

AYIWLFJFCHFZGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01843390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

617

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.218

Distribution Coefficient, logD

6.201

Water Solubility, LogSw

-6.19

Polar Surface Area

78.254

Acid Dissociation Constant (pKa)

8.79

Base Dissociation Constant (pKb)

-2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

K061-0036 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 K061-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0036?
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What is the minimum amount of K061-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0036
  • 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 K061-0036 available by request