A0012693 Screening compound: ethyl 4-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]piperidine-1-carboxylate

A0012693 Screening compound: ethyl 4-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]piperidine-1-carboxylate
A0012693 Screening compound: ethyl 4-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound A0012693
ethyl 4-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]piperidine-1-carboxylate

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

A0012693

Molecular Formula

C23H24F3N5O4 (C23 H24 F3 N5 O4)

Compound Name

ethyl 4-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]piperidine-1-carboxylate

IUPAC name

ethyl 4-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-amido]piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(c1nn2c(C(F)(F)F)cc(-c(cc3)ccc3OC)nc2c1)=O)=O

InChI

InChI=1S/C23H24F3N5O4/c1-3-35-22(33)30-10-8-15(9-11-30)27-21(32)18-13-20-28-17(14-4-6-16(34-2)7-5-14)12-19(23(24,25)26)31(20)29-18/h4-7,12-13,15H,3,8-11H2,1-2H3,(H,27,32)

InChI Key

KZHYDQWKYDXEDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02087762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.077

Distribution Coefficient, logD

4.077

Water Solubility, LogSw

-4.17

Polar Surface Area

72.860

Acid Dissociation Constant (pKa)

15.82

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

A0012693 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with A0012693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0012693?
Check Price and Availability of A0012693, 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 A0012693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0012693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0012693
  • 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 A0012693 available by request