V031-1349 Screening compound: 3-(5-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-6-yl)-N-[2-(pyridin-2-yl)ethyl]propanamide

V031-1349 Screening compound: 3-(5-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-6-yl)-N-[2-(pyridin-2-yl)ethyl]propanamide
V031-1349 Screening compound: 3-(5-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-6-yl)-N-[2-(pyridin-2-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1349
3-(5-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-6-yl)-N-[2-(pyridin-2-yl)ethyl]propanamide

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

V031-1349

Molecular Formula

C21H20F3N5O2 (C21 H20 F3 N5 O2)

Compound Name

3-(5-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-6-yl)-N-[2-(pyridin-2-yl)ethyl]propanamide

IUPAC name

3-(5-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-25-dihydro-124-triazin-6-yl)-N-[2-(pyridin-2-yl)ethyl]propanamide

SMILES

O=C(CCC1=NNC(Cc2cccc(C(F)(F)F)c2)=NC1=O)NCCc1ncccc1

InChI

InChI=1S/C21H20F3N5O2/c22-21(23,24)15-5-3-4-14(12-15)13-18-27-20(31)17(28-29-18)7-8-19(30)26-11-9-16-6-1-2-10-25-16/h1-6,10,12H,7-9,11,13H2,(H,26,30)(H,27,29,31)

InChI Key

DMWCNILIGLFMOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14264777

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

431.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.735

Distribution Coefficient, logD

1.554

Water Solubility, LogSw

-1.96

Polar Surface Area

80.174

Acid Dissociation Constant (pKa)

7.79

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

V031-1349 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 V031-1349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1349?
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What is the minimum amount of V031-1349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1349
  • 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 V031-1349 available by request