Y205-3949 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-4-propoxybenzamide

Y205-3949 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-4-propoxybenzamide
Y205-3949 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-4-propoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-3949
N~1~-(1,3-benzodioxol-5-yl)-4-propoxybenzamide

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

Y205-3949

Molecular Formula

C17H17NO4 (C17 H17 NO4)

Compound Name

N~1~-(1,3-benzodioxol-5-yl)-4-propoxybenzamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-4-propoxybenzamide

SMILES

CCCOc(cc1)ccc1C(Nc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C17H17NO4/c1-2-9-20-14-6-3-12(4-7-14)17(19)18-13-5-8-15-16(10-13)22-11-21-15/h3-8,10H,2,9,11H2,1H3,(H,18,19)

InChI Key

CSEZBKZLWAWEHQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.813

Distribution Coefficient, logD

3.813

Water Solubility, LogSw

-3.93

Polar Surface Area

47.863

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

Y205-3949 in Drug Discovery

Included in Screening Libraries

Human Receptors Annotated Library (5376 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y205-3949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-3949?
Check Price and Availability of Y205-3949, 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 Y205-3949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-3949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-3949
  • 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 Y205-3949 available by request