G330-0413 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(pyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxamide

G330-0413 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(pyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
G330-0413 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(pyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G330-0413
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(pyrrolidin-1-yl)methyl]-1,2-oxazole-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

G330-0413

Molecular Formula

C17H19N3O4 (C17 H19 N3 O4)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(pyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-5-[(pyrrolidin-1-yl)methyl]-12-oxazole-3-carboxamide

SMILES

O=C(c1noc(CN2CCCC2)c1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C17H19N3O4/c21-17(14-10-13(24-19-14)11-20-5-1-2-6-20)18-12-3-4-15-16(9-12)23-8-7-22-15/h3-4,9-10H,1-2,5-8,11H2,(H,18,21)

InChI Key

HSARPWDCOZLDKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14998000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.414

Distribution Coefficient, logD

0.184

Water Solubility, LogSw

-2.29

Polar Surface Area

64.229

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

8.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

G330-0413 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G330-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G330-0413?
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What is the minimum amount of G330-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G330-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G330-0413
  • 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 G330-0413 available by request