G674-0391 Screening compound: 2-(4-chlorophenyl)-4-methyl-3,5-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

G674-0391 Screening compound: 2-(4-chlorophenyl)-4-methyl-3,5-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
G674-0391 Screening compound: 2-(4-chlorophenyl)-4-methyl-3,5-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G674-0391
2-(4-chlorophenyl)-4-methyl-3,5-dioxo-N-[3-(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

G674-0391

Molecular Formula

C18H12ClF3N4O3 (C18 H12 ClF3 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CN(C(C(C(Nc1cc(C(F)(F)F)ccc1)=O)=NN1c(cc2)ccc2Cl)=O)C1=O

InChI

InChI=1S/C18H12ClF3N4O3/c1-25-16(28)14(24-26(17(25)29)13-7-5-11(19)6-8-13)15(27)23-12-4-2-3-10(9-12)18(20,21)22/h2-9H,1H3,(H,23,27)

InChI Key

WLJPYWUMRTUPNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15028495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.77

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.174

Distribution Coefficient, logD

2.491

Water Solubility, LogSw

-4.63

Polar Surface Area

65.373

Acid Dissociation Constant (pKa)

5.73

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with G674-0391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G674-0391?
Check Price and Availability of G674-0391, 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 G674-0391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G674-0391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G674-0391
  • 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 G674-0391 available by request