G330-0405 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-[(pyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxamide

G330-0405 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-[(pyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
G330-0405 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-[(pyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G330-0405
N-(2H-1,3-benzodioxol-5-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

G330-0405

Molecular Formula

C16H17N3O4 (C16 H17 N3 O4)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-5-[(pyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-5-[(pyrrolidin-1-yl)methyl]-12-oxazole-3-carboxamide

SMILES

O=C(c1noc(CN2CCCC2)c1)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C16H17N3O4/c20-16(17-11-3-4-14-15(7-11)22-10-21-14)13-8-12(23-18-13)9-19-5-1-2-6-19/h3-4,7-8H,1-2,5-6,9-10H2,(H,17,20)

InChI Key

XNXJAFBUBSCQAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14997998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.33

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

2.274

Distribution Coefficient, logD

1.045

Water Solubility, LogSw

-2.99

Polar Surface Area

65.521

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

8.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

G330-0405 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G330-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G330-0405?
Check Price and Availability of G330-0405, 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 G330-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G330-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G330-0405
  • 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 G330-0405 available by request