V023-5861 Screening compound: 4-[(3-methylphenyl)methyl]-3,5-dioxo-N-(1-phenylethyl)-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V023-5861 Screening compound: 4-[(3-methylphenyl)methyl]-3,5-dioxo-N-(1-phenylethyl)-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V023-5861 Screening compound: 4-[(3-methylphenyl)methyl]-3,5-dioxo-N-(1-phenylethyl)-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 V023-5861
4-[(3-methylphenyl)methyl]-3,5-dioxo-N-(1-phenylethyl)-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

V023-5861

Molecular Formula

C29H30N4O3 (C29 H30 N4 O3)

Compound Name

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

IUPAC name

4-[(3-methylphenyl)methyl]-35-dioxo-N-(1-phenylethyl)-2-[4-(propan-2-yl)phenyl]-2345-tetrahydro-124-triazine-6-carboxamide

SMILES

CC(C)c(cc1)ccc1N(C(N1Cc2cc(C)ccc2)=O)N=C(C(NC(C)c2ccccc2)=O)C1=O

InChI

InChI=1S/C29H30N4O3/c1-19(2)23-13-15-25(16-14-23)33-29(36)32(18-22-10-8-9-20(3)17-22)28(35)26(31-33)27(34)30-21(4)24-11-6-5-7-12-24/h5-17,19,21H,18H2,1-4H3,(H,30,34)/t21-/m0/s1

InChI Key

IKQZOSFZWSXDPA-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19837178

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

482.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.081

Distribution Coefficient, logD

6.066

Water Solubility, LogSw

-5.44

Polar Surface Area

65.821

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with V023-5861 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V023-5861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-5861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-5861
  • 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 V023-5861 available by request