V006-6844 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V006-6844 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V006-6844 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3,5-dimethylphenyl)-4-[(4-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 V006-6844
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3,5-dimethylphenyl)-4-[(4-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

V006-6844

Molecular Formula

C28H26N4O5 (C28 H26 N4 O5)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-(35-dimethylphenyl)-4-[(4-methylphenyl)methyl]-35-dioxo-2345-tetrahydro-124-triazine-6-carboxamide

SMILES

Cc1ccc(CN(C(C(C(NCc(cc2)cc3c2OCO3)=O)=NN2c3cc(C)cc(C)c3)=O)C2=O)cc1

InChI

InChI=1S/C28H26N4O5/c1-17-4-6-20(7-5-17)15-31-27(34)25(30-32(28(31)35)22-11-18(2)10-19(3)12-22)26(33)29-14-21-8-9-23-24(13-21)37-16-36-23/h4-13H,14-16H2,1-3H3,(H,29,33)

InChI Key

JVLNBFDENUAGOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19840175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.003

Distribution Coefficient, logD

5.002

Water Solubility, LogSw

-4.63

Polar Surface Area

83.774

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with V006-6844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-6844?
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What is the minimum amount of V006-6844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-6844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-6844
  • 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 V006-6844 available by request