Y031-2684 Screening compound: 2-(2H-1,3-benzodioxol-5-yloxy)-N-cyclohexylacetamide

Y031-2684 Screening compound: 2-(2H-1,3-benzodioxol-5-yloxy)-N-cyclohexylacetamide
Y031-2684 Screening compound: 2-(2H-1,3-benzodioxol-5-yloxy)-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-2684
2-(2H-1,3-benzodioxol-5-yloxy)-N-cyclohexylacetamide

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

Y031-2684

Molecular Formula

C15H19NO4 (C15 H19 NO4)

Compound Name

2-(2H-1,3-benzodioxol-5-yloxy)-N-cyclohexylacetamide

IUPAC name

2-(2H-13-benzodioxol-5-yloxy)-N-cyclohexylacetamide

SMILES

O=C(COc(cc1)cc2c1OCO2)NC1CCCCC1

InChI

InChI=1S/C15H19NO4/c17-15(16-11-4-2-1-3-5-11)9-18-12-6-7-13-14(8-12)20-10-19-13/h6-8,11H,1-5,9-10H2,(H,16,17)

InChI Key

YQXJJJWSWRWUGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07134128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.641

Distribution Coefficient, logD

2.641

Water Solubility, LogSw

-2.88

Polar Surface Area

48.778

Acid Dissociation Constant (pKa)

15.63

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

Y031-2684 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y031-2684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-2684?
Check Price and Availability of Y031-2684, 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 Y031-2684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-2684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-2684
  • 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 Y031-2684 available by request