A0012754 Screening compound: 1,3-dimethyl 5-[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]benzene-1,3-dicarboxylate

A0012754 Screening compound: 1,3-dimethyl 5-[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]benzene-1,3-dicarboxylate
A0012754 Screening compound: 1,3-dimethyl 5-[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound A0012754
1,3-dimethyl 5-[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]benzene-1,3-dicarboxylate

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

A0012754

Molecular Formula

C25H19F3N4O5 (C25 H19 F3 N4 O5)

Compound Name

1,3-dimethyl 5-[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-amido]benzene-13-dicarboxylate

SMILES

Cc(cc1)ccc1-c1nc2cc(C(Nc3cc(C(OC)=O)cc(C(OC)=O)c3)=O)nn2c(C(F)(F)F)c1

InChI

InChI=1S/C25H19F3N4O5/c1-13-4-6-14(7-5-13)18-11-20(25(26,27)28)32-21(30-18)12-19(31-32)22(33)29-17-9-15(23(34)36-2)8-16(10-17)24(35)37-3/h4-12H,1-3H3,(H,29,33)

InChI Key

CHVQEVUBKVOEAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.921

Distribution Coefficient, logD

5.921

Water Solubility, LogSw

-5.57

Polar Surface Area

83.836

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

A0012754 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 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 A0012754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0012754?
Check Price and Availability of A0012754, 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 A0012754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0012754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0012754
  • 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 A0012754 available by request