V009-4667 Screening compound: 2-(2-fluorophenyl)-N-[(furan-2-yl)methyl]-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V009-4667 Screening compound: 2-(2-fluorophenyl)-N-[(furan-2-yl)methyl]-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V009-4667 Screening compound: 2-(2-fluorophenyl)-N-[(furan-2-yl)methyl]-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-4667
2-(2-fluorophenyl)-N-[(furan-2-yl)methyl]-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-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

V009-4667

Molecular Formula

C23H16F4N4O4 (C23 H16 F4 N4 O4)

Compound Name

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

IUPAC name

2-(2-fluorophenyl)-N-[(furan-2-yl)methyl]-35-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2345-tetrahydro-124-triazine-6-carboxamide

SMILES

O=C(C(C(N1Cc2ccc(C(F)(F)F)cc2)=O)=NN(c(cccc2)c2F)C1=O)NCc1ccco1

InChI

InChI=1S/C23H16F4N4O4/c24-17-5-1-2-6-18(17)31-22(34)30(13-14-7-9-15(10-8-14)23(25,26)27)21(33)19(29-31)20(32)28-12-16-4-3-11-35-16/h1-11H,12-13H2,(H,28,32)

InChI Key

BRCNBUSANXIFQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19838210

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

488.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.281

Distribution Coefficient, logD

4.259

Water Solubility, LogSw

-4.41

Polar Surface Area

74.106

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

-3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

V009-4667 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V009-4667 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-4667?
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What is the minimum amount of V009-4667 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-4667
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-4667
  • 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 V009-4667 available by request