V026-0493 Screening compound: 4-[(4-methylphenyl)methyl]-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V026-0493 Screening compound: 4-[(4-methylphenyl)methyl]-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V026-0493 Screening compound: 4-[(4-methylphenyl)methyl]-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-0493
4-[(4-methylphenyl)methyl]-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2-[4-(propan-2-yl)phenyl]-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

V026-0493

Molecular Formula

C26H30N4O4 (C26 H30 N4 O4)

Compound Name

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

IUPAC name

4-[(4-methylphenyl)methyl]-35-dioxo-N-[(oxolan-2-yl)methyl]-2-[4-(propan-2-yl)phenyl]-2345-tetrahydro-124-triazine-6-carboxamide

SMILES

CC(C)c(cc1)ccc1N(C(N1Cc2ccc(C)cc2)=O)N=C(C(NCC2OCCC2)=O)C1=O

InChI

InChI=1S/C26H30N4O4/c1-17(2)20-10-12-21(13-11-20)30-26(33)29(16-19-8-6-18(3)7-9-19)25(32)23(28-30)24(31)27-15-22-5-4-14-34-22/h6-13,17,22H,4-5,14-16H2,1-3H3,(H,27,31)/t22-/m1/s1

InChI Key

CNDQWGDQHWHKBT-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19837272

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

462.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.962

Distribution Coefficient, logD

3.962

Water Solubility, LogSw

-3.88

Polar Surface Area

75.313

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

V026-0493 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V026-0493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-0493?
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What is the minimum amount of V026-0493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-0493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-0493
  • 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 V026-0493 available by request