V004-6661 Screening compound: 4-[(3-fluorophenyl)methyl]-3,5-dioxo-N-[2-(pyridin-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V004-6661 Screening compound: 4-[(3-fluorophenyl)methyl]-3,5-dioxo-N-[2-(pyridin-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V004-6661 Screening compound: 4-[(3-fluorophenyl)methyl]-3,5-dioxo-N-[2-(pyridin-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-6661
4-[(3-fluorophenyl)methyl]-3,5-dioxo-N-[2-(pyridin-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

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

V004-6661

Molecular Formula

C25H19F4N5O3 (C25 H19 F4 N5 O3)

Compound Name

4-[(3-fluorophenyl)methyl]-3,5-dioxo-N-[2-(pyridin-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

IUPAC name

4-[(3-fluorophenyl)methyl]-35-dioxo-N-[2-(pyridin-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-2345-tetrahydro-124-triazine-6-carboxamide

SMILES

O=C(C(C(N1Cc2cccc(F)c2)=O)=NN(c2ccc(C(F)(F)F)cc2)C1=O)NCCc1ncccc1

InChI

InChI=1S/C25H19F4N5O3/c26-18-5-3-4-16(14-18)15-33-23(36)21(22(35)31-13-11-19-6-1-2-12-30-19)32-34(24(33)37)20-9-7-17(8-10-20)25(27,28)29/h1-10,12,14H,11,13,15H2,(H,31,35)

InChI Key

LYRPJBPSSQRFTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19834601

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

513.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.671

Distribution Coefficient, logD

3.670

Water Solubility, LogSw

-4.18

Polar Surface Area

76.043

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

V004-6661 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V004-6661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-6661?
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What is the minimum amount of V004-6661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-6661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-6661
  • 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 V004-6661 available by request