A0001411 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

A0001411 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
A0001411 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0001411
5-(2H-1,3-benzodioxol-5-yl)-N-[2-chloro-5-(trifluoromethyl)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

A0001411

Molecular Formula

C22H11ClF6N4O3 (C22 H11 ClF6 N4 O3)

Compound Name

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

IUPAC name

5-(2H-13-benzodioxol-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

O=C(c1nn2c(C(F)(F)F)cc(-c(cc3)cc4c3OCO4)nc2c1)Nc(cc(C(F)(F)F)cc1)c1Cl

InChI

InChI=1S/C22H11ClF6N4O3/c23-12-3-2-11(21(24,25)26)6-14(12)31-20(34)15-8-19-30-13(7-18(22(27,28)29)33(19)32-15)10-1-4-16-17(5-10)36-9-35-16/h1-8H,9H2,(H,31,34)

InChI Key

NXBQVDXLDTZMGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01597112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.231

Distribution Coefficient, logD

6.114

Water Solubility, LogSw

-6.45

Polar Surface Area

57.906

Acid Dissociation Constant (pKa)

7.91

Base Dissociation Constant (pKb)

2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

A0001411 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with A0001411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0001411?
Check Price and Availability of A0001411, 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 A0001411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0001411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0001411
  • 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 A0001411 available by request