V002-5042 Screening compound: ethyl 2-oxo-2-(4-{7-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)acetate

V002-5042 Screening compound: ethyl 2-oxo-2-(4-{7-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)acetate
V002-5042 Screening compound: ethyl 2-oxo-2-(4-{7-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-5042
ethyl 2-oxo-2-(4-{7-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)acetate

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

V002-5042

Molecular Formula

C20H19F3N6O3 (C20 H19 F3 N6 O3)

Compound Name

ethyl 2-oxo-2-(4-{7-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)acetate

IUPAC name

ethyl 2-oxo-2-(4-{7-[3-(trifluoromethyl)phenyl]-[124]triazolo[15-a]pyrimidin-2-yl}piperazin-1-yl)acetate

SMILES

CCOC(C(N(CC1)CCN1c1nn2c(-c3cccc(C(F)(F)F)c3)ccnc2n1)=O)=O

InChI

InChI=1S/C20H19F3N6O3/c1-2-32-17(31)16(30)27-8-10-28(11-9-27)19-25-18-24-7-6-15(29(18)26-19)13-4-3-5-14(12-13)20(21,22)23/h3-7,12H,2,8-11H2,1H3

InChI Key

OWWXOVBOUFLRMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19953696

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

448.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.765

Distribution Coefficient, logD

2.765

Water Solubility, LogSw

-2.96

Polar Surface Area

70.074

Acid Dissociation Constant (pKa)

20.67

Base Dissociation Constant (pKb)

7.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

V002-5042 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V002-5042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-5042?
Check Price and Availability of V002-5042, 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 V002-5042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-5042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-5042
  • 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 V002-5042 available by request