Y031-6715 Screening compound: 1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidine

Y031-6715 Screening compound: 1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidine
Y031-6715 Screening compound: 1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-6715
1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidine

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

Y031-6715

Molecular Formula

C12H13NO3 (C12 H13 NO3)

Compound Name

1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidine

IUPAC name

1-(2H-13-benzodioxole-5-carbonyl)pyrrolidine

SMILES

O=C(c(cc1)cc2c1OCO2)N1CCCC1

InChI

InChI=1S/C12H13NO3/c14-12(13-5-1-2-6-13)9-3-4-10-11(7-9)16-8-15-10/h3-4,7H,1-2,5-6,8H2

InChI Key

OHNMXDCVKSTQQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01269242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

219.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.653

Distribution Coefficient, logD

1.653

Water Solubility, LogSw

-1.98

Polar Surface Area

34.368

Acid Dissociation Constant (pKa)

27.66

Base Dissociation Constant (pKb)

-3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

Y031-6715 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y031-6715 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-6715?
Check Price and Availability of Y031-6715, 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 Y031-6715 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-6715
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-6715
  • 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 Y031-6715 available by request