V002-4262 Screening compound: 2-(2-fluorophenyl)-N-[2-(morpholin-4-yl)ethyl]-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V002-4262 Screening compound: 2-(2-fluorophenyl)-N-[2-(morpholin-4-yl)ethyl]-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V002-4262 Screening compound: 2-(2-fluorophenyl)-N-[2-(morpholin-4-yl)ethyl]-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-4262
2-(2-fluorophenyl)-N-[2-(morpholin-4-yl)ethyl]-3,5-dioxo-4-{[3-(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

V002-4262

Molecular Formula

C24H23F4N5O4 (C24 H23 F4 N5 O4)

Compound Name

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

IUPAC name

2-(2-fluorophenyl)-N-[2-(morpholin-4-yl)ethyl]-35-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2345-tetrahydro-124-triazine-6-carboxamide

SMILES

O=C(C(C(N1Cc2cc(C(F)(F)F)ccc2)=O)=NN(c(cccc2)c2F)C1=O)NCCN1CCOCC1

InChI

InChI=1S/C24H23F4N5O4/c25-18-6-1-2-7-19(18)33-23(36)32(15-16-4-3-5-17(14-16)24(26,27)28)22(35)20(30-33)21(34)29-8-9-31-10-12-37-13-11-31/h1-7,14H,8-13,15H2,(H,29,34)

InChI Key

SRTDABRNWLKGCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19837788

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

521.47

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

2.486

Distribution Coefficient, logD

2.456

Water Solubility, LogSw

-2.99

Polar Surface Area

78.090

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V002-4262 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V002-4262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-4262?
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What is the minimum amount of V002-4262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-4262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-4262
  • 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 V002-4262 available by request