C066-5317 Screening compound: 4-METHYL-3,5-DIOXO-2-PHENYL-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-6-CARBOXYLIC ACID

C066-5317 Screening compound: 4-METHYL-3,5-DIOXO-2-PHENYL-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-6-CARBOXYLIC ACID
C066-5317 Screening compound: 4-METHYL-3,5-DIOXO-2-PHENYL-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-6-CARBOXYLIC ACID alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5317
4-METHYL-3,5-DIOXO-2-PHENYL-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-6-CARBOXYLIC ACID

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

C066-5317

Molecular Formula

C11H9N3O4 (C11 H9 N3 O4)

Compound Name

4-METHYL-3,5-DIOXO-2-PHENYL-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-6-CARBOXYLIC ACID

IUPAC name

n/a

SMILES

CN(C(C(C(O)=O)=NN1c2ccccc2)=O)C1=O

InChI

InChI=1S/C11H9N3O4/c1-13-9(15)8(10(16)17)12-14(11(13)18)7-5-3-2-4-6-7/h2-6H,1H3,(H,16,17)

InChI Key

DYFOVLLHVVYPFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.21

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.484

Distribution Coefficient, logD

-6.599

Water Solubility, LogSw

-1.24

Polar Surface Area

70.690

Acid Dissociation Constant (pKa)

0.32

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

2.00

C066-5317 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C066-5317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5317?
Check Price and Availability of C066-5317, 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 C066-5317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5317
  • 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 C066-5317 available by request