V005-8801 Screening compound: N-[2-(3-chlorophenyl)ethyl]-3-methyl-5-(pyridin-3-yl)-1,2-oxazole-4-carboxamide

V005-8801 Screening compound: N-[2-(3-chlorophenyl)ethyl]-3-methyl-5-(pyridin-3-yl)-1,2-oxazole-4-carboxamide
V005-8801 Screening compound: N-[2-(3-chlorophenyl)ethyl]-3-methyl-5-(pyridin-3-yl)-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-8801
N-[2-(3-chlorophenyl)ethyl]-3-methyl-5-(pyridin-3-yl)-1,2-oxazole-4-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

V005-8801

Molecular Formula

C18H16ClN3O2 (C18 H16 ClN3 O2)

Compound Name

N-[2-(3-chlorophenyl)ethyl]-3-methyl-5-(pyridin-3-yl)-1,2-oxazole-4-carboxamide

IUPAC name

N-[2-(3-chlorophenyl)ethyl]-3-methyl-5-(pyridin-3-yl)-12-oxazole-4-carboxamide

SMILES

Cc1noc(-c2cnccc2)c1C(NCCc1cccc(Cl)c1)=O

InChI

InChI=1S/C18H16ClN3O2/c1-12-16(17(24-22-12)14-5-3-8-20-11-14)18(23)21-9-7-13-4-2-6-15(19)10-13/h2-6,8,10-11H,7,9H2,1H3,(H,21,23)

InChI Key

VBMRSFPWEQYYJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19959272

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

341.8

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

2.593

Distribution Coefficient, logD

2.593

Water Solubility, LogSw

-3.83

Polar Surface Area

56.356

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

V005-8801 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Nervous system
  • Cardiovascular
Targets:
  • Nuclear receptors
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with V005-8801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-8801?
Check Price and Availability of V005-8801, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V005-8801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-8801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-8801
  • 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 V005-8801 available by request