V002-5284 Screening compound: 1-[7-(2H-1,3-benzodioxol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazine

V002-5284 Screening compound: 1-[7-(2H-1,3-benzodioxol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazine
V002-5284 Screening compound: 1-[7-(2H-1,3-benzodioxol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-5284
1-[7-(2H-1,3-benzodioxol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-[4-fluoro-2-(trifluoromethyl)benzoyl]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

V002-5284

Molecular Formula

C24H18F4N6O3 (C24 H18 F4 N6 O3)

Compound Name

1-[7-(2H-1,3-benzodioxol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazine

IUPAC name

1-[7-(2H-13-benzodioxol-5-yl)-[124]triazolo[15-a]pyrimidin-2-yl]-4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazine

SMILES

O=C(c(cc1)c(C(F)(F)F)cc1F)N(CC1)CCN1c1nn2c(-c(cc3)cc4c3OCO4)ccnc2n1

InChI

InChI=1S/C24H18F4N6O3/c25-15-2-3-16(17(12-15)24(26,27)28)21(35)32-7-9-33(10-8-32)23-30-22-29-6-5-18(34(22)31-23)14-1-4-19-20(11-14)37-13-36-19/h1-6,11-12H,7-10,13H2

InChI Key

HCHXJAMZGDFGGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19955105

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

514.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.079

Distribution Coefficient, logD

4.079

Water Solubility, LogSw

-4.35

Polar Surface Area

66.164

Acid Dissociation Constant (pKa)

20.52

Base Dissociation Constant (pKb)

8.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V002-5284 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V002-5284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-5284?
Check Price and Availability of V002-5284, 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 V002-5284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-5284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-5284
  • 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 V002-5284 available by request