A0001457 Screening compound: 1-[5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-4-(2-chlorophenyl)piperazine

A0001457 Screening compound: 1-[5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-4-(2-chlorophenyl)piperazine
A0001457 Screening compound: 1-[5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-4-(2-chlorophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound A0001457
1-[5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-4-(2-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

A0001457

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-(2-chlorophenyl)piperazine

IUPAC name

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

SMILES

O=C(c1nn2c(C(F)(F)F)cc(-c(cc3)cc4c3OCO4)nc2c1)N(CC1)CCN1c(cccc1)c1Cl

InChI

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

InChI Key

PYGWIJFXABBUPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02087725

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

5.378

Distribution Coefficient, logD

5.376

Water Solubility, LogSw

-6.02

Polar Surface Area

55.121

Acid Dissociation Constant (pKa)

28.47

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

A0001457 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with A0001457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0001457?
Check Price and Availability of A0001457, 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 A0001457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0001457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0001457
  • 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 A0001457 available by request