V023-6129 Screening compound: N-benzyl-2-(3,5-dimethylphenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V023-6129 Screening compound: N-benzyl-2-(3,5-dimethylphenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V023-6129 Screening compound: N-benzyl-2-(3,5-dimethylphenyl)-4-[(2-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 V023-6129
N-benzyl-2-(3,5-dimethylphenyl)-4-[(2-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

V023-6129

Molecular Formula

C27H26N4O3 (C27 H26 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(N(C(N2Cc3c(C)cccc3)=O)N=C(C(NCc3ccccc3)=O)C2=O)cc(C)c1

InChI

InChI=1S/C27H26N4O3/c1-18-13-19(2)15-23(14-18)31-27(34)30(17-22-12-8-7-9-20(22)3)26(33)24(29-31)25(32)28-16-21-10-5-4-6-11-21/h4-15H,16-17H2,1-3H3,(H,28,32)

InChI Key

AUEDVXGEKSDKQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19840283

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

454.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.285

Distribution Coefficient, logD

5.271

Water Solubility, LogSw

-5.12

Polar Surface Area

66.658

Acid Dissociation Constant (pKa)

8.88

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with V023-6129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-6129?
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What is the minimum amount of V023-6129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-6129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-6129
  • 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 V023-6129 available by request