V023-8750 Screening compound: 2-(4-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V023-8750 Screening compound: 2-(4-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V023-8750 Screening compound: 2-(4-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-8750
2-(4-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]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

V023-8750

Molecular Formula

C25H26F3N5O4 (C25 H26 F3 N5 O4)

Compound Name

2-(4-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

IUPAC name

2-(4-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]-35-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2345-tetrahydro-124-triazine-6-carboxamide

SMILES

Cc(cc1)ccc1N(C(N1Cc2ccc(C(F)(F)F)cc2)=O)N=C(C(NCCN2CCOCC2)=O)C1=O

InChI

InChI=1S/C25H26F3N5O4/c1-17-2-8-20(9-3-17)33-24(36)32(16-18-4-6-19(7-5-18)25(26,27)28)23(35)21(30-33)22(34)29-10-11-31-12-14-37-15-13-31/h2-9H,10-16H2,1H3,(H,29,34)

InChI Key

WOSHSZAYGNTLJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19836268

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

517.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.019

Distribution Coefficient, logD

2.988

Water Solubility, LogSw

-3.29

Polar Surface Area

78.391

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

V023-8750 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V023-8750 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-8750?
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What is the minimum amount of V023-8750 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-8750
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-8750
  • 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 V023-8750 available by request