G674-0085 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

G674-0085 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
G674-0085 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G674-0085
N-(4-chloro-2-methoxy-5-methylphenyl)-4-methyl-2-(4-methylphenyl)-3,5-dioxo-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

G674-0085

Molecular Formula

C20H19ClN4O4 (C20 H19 ClN4 O4)

Compound Name

N-(4-chloro-2-methoxy-5-methylphenyl)-4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

IUPAC name

N-(4-chloro-2-methoxy-5-methylphenyl)-4-methyl-2-(4-methylphenyl)-35-dioxo-2345-tetrahydro-124-triazine-6-carboxamide

SMILES

Cc(cc1)ccc1N(C(N1C)=O)N=C(C(Nc(c(OC)c2)cc(C)c2Cl)=O)C1=O

InChI

InChI=1S/C20H19ClN4O4/c1-11-5-7-13(8-6-11)25-20(28)24(3)19(27)17(23-25)18(26)22-15-9-12(2)14(21)10-16(15)29-4/h5-10H,1-4H3,(H,22,26)

InChI Key

XREDGGBZEVARDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15028431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.85

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.108

Distribution Coefficient, logD

1.777

Water Solubility, LogSw

-4.47

Polar Surface Area

72.306

Acid Dissociation Constant (pKa)

5.07

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G674-0085 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G674-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G674-0085?
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What is the minimum amount of G674-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G674-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G674-0085
  • 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 G674-0085 available by request