V013-6895 Screening compound: 2-(4-chlorophenoxy)-1-(4-{7-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)ethan-1-one

V013-6895 Screening compound: 2-(4-chlorophenoxy)-1-(4-{7-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)ethan-1-one
V013-6895 Screening compound: 2-(4-chlorophenoxy)-1-(4-{7-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-6895
2-(4-chlorophenoxy)-1-(4-{7-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)ethan-1-one

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

V013-6895

Molecular Formula

C24H20ClF3N6O2 (C24 H20 ClF3 N6 O2)

Compound Name

2-(4-chlorophenoxy)-1-(4-{7-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)ethan-1-one

IUPAC name

2-(4-chlorophenoxy)-1-(4-{7-[3-(trifluoromethyl)phenyl]-[124]triazolo[15-a]pyrimidin-2-yl}piperazin-1-yl)ethan-1-one

SMILES

O=C(COc(cc1)ccc1Cl)N(CC1)CCN1c1nn2c(-c3cc(C(F)(F)F)ccc3)ccnc2n1

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

516.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.160

Distribution Coefficient, logD

4.158

Water Solubility, LogSw

-4.61

Polar Surface Area

56.020

Acid Dissociation Constant (pKa)

20.67

Base Dissociation Constant (pKb)

8.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V013-6895 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 V013-6895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-6895?
Check Price and Availability of V013-6895, 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 V013-6895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-6895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-6895
  • 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 V013-6895 available by request