V026-0521 Screening compound: 2-(3-methylphenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V026-0521 Screening compound: 2-(3-methylphenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V026-0521 Screening compound: 2-(3-methylphenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-0521
2-(3-methylphenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-N-[(pyridin-3-yl)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

V026-0521

Molecular Formula

C25H23N5O3 (C25 H23 N5 O3)

Compound Name

2-(3-methylphenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

IUPAC name

2-(3-methylphenyl)-4-[(2-methylphenyl)methyl]-35-dioxo-N-[(pyridin-3-yl)methyl]-2345-tetrahydro-124-triazine-6-carboxamide

SMILES

Cc1cccc(N(C(N2Cc3c(C)cccc3)=O)N=C(C(NCc3cnccc3)=O)C2=O)c1

InChI

InChI=1S/C25H23N5O3/c1-17-7-5-11-21(13-17)30-25(33)29(16-20-10-4-3-8-18(20)2)24(32)22(28-30)23(31)27-15-19-9-6-12-26-14-19/h3-14H,15-16H2,1-2H3,(H,27,31)

InChI Key

DORXIBNPEMBLKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19834423

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

441.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.544

Distribution Coefficient, logD

3.542

Water Solubility, LogSw

-3.34

Polar Surface Area

76.176

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

V026-0521 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V026-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V026-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-0521
  • 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 V026-0521 available by request