Y032-1647 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-1,3-benzodioxole-5-carboxamide

Y032-1647 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-1,3-benzodioxole-5-carboxamide
Y032-1647 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-1647
N-(1,3-benzodioxol-5-ylmethyl)-1,3-benzodioxole-5-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

Y032-1647

Molecular Formula

C16H13NO5 (C16 H13 NO5)

Compound Name

N-(1,3-benzodioxol-5-ylmethyl)-1,3-benzodioxole-5-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C16H13NO5/c18-16(11-2-4-13-15(6-11)22-9-20-13)17-7-10-1-3-12-14(5-10)21-8-19-12/h1-6H,7-9H2,(H,17,18)

InChI Key

LOFYNGLWOLYFGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01345233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.522

Distribution Coefficient, logD

2.522

Water Solubility, LogSw

-2.89

Polar Surface Area

58.883

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

Y032-1647 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y032-1647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-1647?
Check Price and Availability of Y032-1647, 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 Y032-1647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-1647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-1647
  • 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 Y032-1647 available by request