A0012913 Screening compound: 1-[5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-4-(3-chlorophenyl)piperazine

A0012913 Screening compound: 1-[5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-4-(3-chlorophenyl)piperazine
A0012913 Screening compound: 1-[5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-4-(3-chlorophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound A0012913
1-[5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-4-(3-chlorophenyl)piperazine

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

A0012913

Molecular Formula

C25H19ClF3N5O3 (C25 H19 ClF3 N5 O3)

Compound Name

1-[5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-4-(3-chlorophenyl)piperazine

IUPAC name

1-[5-(2H-13-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carbonyl]-4-(3-chlorophenyl)piperazine

SMILES

O=C(c1nn2c(C(F)(F)F)cc(-c(cc3)cc4c3OCO4)nc2c1)N(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C25H19ClF3N5O3/c26-16-2-1-3-17(11-16)32-6-8-33(9-7-32)24(35)19-13-23-30-18(12-22(25(27,28)29)34(23)31-19)15-4-5-20-21(10-15)37-14-36-20/h1-5,10-13H,6-9,14H2

InChI Key

KFOMEPLRIVILTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02087872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.287

Distribution Coefficient, logD

5.285

Water Solubility, LogSw

-6.01

Polar Surface Area

55.422

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

A0012913 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with A0012913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0012913?
Check Price and Availability of A0012913, 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 A0012913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0012913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0012913
  • 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 A0012913 available by request