G330-0050 Screening compound: N-(2-ethylphenyl)-5-(morpholinomethyl)-3-isoxazolecarboxamide

G330-0050 Screening compound: N-(2-ethylphenyl)-5-(morpholinomethyl)-3-isoxazolecarboxamide
G330-0050 Screening compound: N-(2-ethylphenyl)-5-(morpholinomethyl)-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G330-0050
N-(2-ethylphenyl)-5-(morpholinomethyl)-3-isoxazolecarboxamide

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

G330-0050

Molecular Formula

C17H21N3O3 (C17 H21 N3 O3)

Compound Name

N-(2-ethylphenyl)-5-(morpholinomethyl)-3-isoxazolecarboxamide

IUPAC name

N-(2-ethylphenyl)-5-[(morpholin-4-yl)methyl]-12-oxazole-3-carboxamide

SMILES

CCc(cccc1)c1NC(c1noc(CN2CCOCC2)c1)=O

InChI

InChI=1S/C17H21N3O3/c1-2-13-5-3-4-6-15(13)18-17(21)16-11-14(23-19-16)12-20-7-9-22-10-8-20/h3-6,11H,2,7-10,12H2,1H3,(H,18,21)

InChI Key

AVTCLMJXAVOELY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14997862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.412

Distribution Coefficient, logD

2.403

Water Solubility, LogSw

-2.91

Polar Surface Area

55.250

Acid Dissociation Constant (pKa)

12.21

Base Dissociation Constant (pKb)

5.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.18

G330-0050 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with G330-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G330-0050?
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What is the minimum amount of G330-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G330-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G330-0050
  • 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 G330-0050 available by request