V003-1297 Screening compound: N-cyclopropyl-2-(4-methylphenyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V003-1297 Screening compound: N-cyclopropyl-2-(4-methylphenyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V003-1297 Screening compound: N-cyclopropyl-2-(4-methylphenyl)-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 V003-1297
N-cyclopropyl-2-(4-methylphenyl)-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

V003-1297

Molecular Formula

C22H19F3N4O3 (C22 H19 F3 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1N(C(N1Cc2ccc(C(F)(F)F)cc2)=O)N=C(C(NC2CC2)=O)C1=O

InChI

InChI=1S/C22H19F3N4O3/c1-13-2-10-17(11-3-13)29-21(32)28(12-14-4-6-15(7-5-14)22(23,24)25)20(31)18(27-29)19(30)26-16-8-9-16/h2-7,10-11,16H,8-9,12H2,1H3,(H,26,30)

InChI Key

NROBNPHSPJOZJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19836283

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

444.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.078

Distribution Coefficient, logD

4.075

Water Solubility, LogSw

-4.16

Polar Surface Area

66.715

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

-1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

V003-1297 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V003-1297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-1297?
Check Price and Availability of V003-1297, 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 V003-1297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-1297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-1297
  • 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 V003-1297 available by request