V031-0652 Screening compound: 5-(2-FLUOROPHENYL)-N-[2-(MORPHOLIN-4-YL)ETHYL]PYRIDINE-3-CARBOXAMIDE

V031-0652 Screening compound: 5-(2-FLUOROPHENYL)-N-[2-(MORPHOLIN-4-YL)ETHYL]PYRIDINE-3-CARBOXAMIDE
V031-0652 Screening compound: 5-(2-FLUOROPHENYL)-N-[2-(MORPHOLIN-4-YL)ETHYL]PYRIDINE-3-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0652
5-(2-FLUOROPHENYL)-N-[2-(MORPHOLIN-4-YL)ETHYL]PYRIDINE-3-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

V031-0652

Molecular Formula

C18H20FN3O2 (C18 H20 FN3 O2)

Compound Name

5-(2-FLUOROPHENYL)-N-[2-(MORPHOLIN-4-YL)ETHYL]PYRIDINE-3-CARBOXAMIDE

IUPAC name

5-(2-fluorophenyl)-N-[2-(morpholin-4-yl)ethyl]pyridine-3-carboxamide

SMILES

O=C(c1cc(-c(cccc2)c2F)cnc1)NCCN1CCOCC1

InChI

InChI=1S/C18H20FN3O2/c19-17-4-2-1-3-16(17)14-11-15(13-20-12-14)18(23)21-5-6-22-7-9-24-10-8-22/h1-4,11-13H,5-10H2,(H,21,23)

InChI Key

QGFCTHUSRMDYGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19888910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.315

Distribution Coefficient, logD

1.301

Water Solubility, LogSw

-2.04

Polar Surface Area

45.720

Acid Dissociation Constant (pKa)

12.64

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V031-0652 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with V031-0652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0652?
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What is the minimum amount of V031-0652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0652
  • 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 V031-0652 available by request