V013-5736 Screening compound: 2-(3,4-DIMETHYLPHENYL)-N-ETHYL-N-METHYL-4-[(3-METHYLPHENYL)METHYL]-3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-6-CARBOXAMIDE

V013-5736 Screening compound: 2-(3,4-DIMETHYLPHENYL)-N-ETHYL-N-METHYL-4-[(3-METHYLPHENYL)METHYL]-3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-6-CARBOXAMIDE
V013-5736 Screening compound: 2-(3,4-DIMETHYLPHENYL)-N-ETHYL-N-METHYL-4-[(3-METHYLPHENYL)METHYL]-3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-6-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-5736
2-(3,4-DIMETHYLPHENYL)-N-ETHYL-N-METHYL-4-[(3-METHYLPHENYL)METHYL]-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

V013-5736

Molecular Formula

C23H26N4O3 (C23 H26 N4 O3)

Compound Name

2-(3,4-DIMETHYLPHENYL)-N-ETHYL-N-METHYL-4-[(3-METHYLPHENYL)METHYL]-3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-6-CARBOXAMIDE

IUPAC name

2-(34-dimethylphenyl)-N-ethyl-N-methyl-4-[(3-methylphenyl)methyl]-35-dioxo-2345-tetrahydro-124-triazine-6-carboxamide

SMILES

CCN(C)C(C(C(N1Cc2cc(C)ccc2)=O)=NN(c2cc(C)c(C)cc2)C1=O)=O

InChI

InChI=1S/C23H26N4O3/c1-6-25(5)21(28)20-22(29)26(14-18-9-7-8-15(2)12-18)23(30)27(24-20)19-11-10-16(3)17(4)13-19/h7-13H,6,14H2,1-5H3

InChI Key

UEPSISQBJCRHQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19836185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.392

Distribution Coefficient, logD

4.392

Water Solubility, LogSw

-4.24

Polar Surface Area

58.392

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

V013-5736 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with V013-5736 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-5736?
Check Price and Availability of V013-5736, 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 V013-5736 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-5736
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-5736
  • 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 V013-5736 available by request