A0013063 Screening compound: N-(2,4-dichlorophenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

A0013063 Screening compound: N-(2,4-dichlorophenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
A0013063 Screening compound: N-(2,4-dichlorophenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0013063
N-(2,4-dichlorophenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-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

A0013063

Molecular Formula

C22H15Cl2F3N4O3 (C22 H15 Cl2 F3 N4 O3)

Compound Name

N-(2,4-dichlorophenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

IUPAC name

N-(24-dichlorophenyl)-5-(34-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-3-carboxamide

SMILES

COc(ccc(-c(cc(C(F)(F)F)n1nc2)nc1c2C(Nc(ccc(Cl)c1)c1Cl)=O)c1)c1OC

InChI

InChI=1S/C22H15Cl2F3N4O3/c1-33-17-6-3-11(7-18(17)34-2)16-9-19(22(25,26)27)31-20(29-16)13(10-28-31)21(32)30-15-5-4-12(23)8-14(15)24/h3-10H,1-2H3,(H,30,32)

InChI Key

QAIQFVDUEPNAMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01194735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.515

Distribution Coefficient, logD

5.385

Water Solubility, LogSw

-5.91

Polar Surface Area

56.822

Acid Dissociation Constant (pKa)

7.86

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with A0013063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0013063?
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What is the minimum amount of A0013063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0013063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0013063
  • 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 A0013063 available by request