N081-0783 Screening compound: 3-{[2-(2H-1,3-benzodioxol-5-yl)ethyl]carbamoyl}-2-benzylpropanoic acid

N081-0783 Screening compound: 3-{[2-(2H-1,3-benzodioxol-5-yl)ethyl]carbamoyl}-2-benzylpropanoic acid
N081-0783 Screening compound: 3-{[2-(2H-1,3-benzodioxol-5-yl)ethyl]carbamoyl}-2-benzylpropanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound N081-0783
3-{[2-(2H-1,3-benzodioxol-5-yl)ethyl]carbamoyl}-2-benzylpropanoic acid

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

N081-0783

Molecular Formula

C20H21NO5 (C20 H21 NO5)

Compound Name

3-{[2-(2H-1,3-benzodioxol-5-yl)ethyl]carbamoyl}-2-benzylpropanoic acid

IUPAC name

3-{[2-(2H-13-benzodioxol-5-yl)ethyl]carbamoyl}-2-benzylpropanoic acid

SMILES

OC(C(CC(NCCc(cc1)cc2c1OCO2)=O)Cc1ccccc1)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.104

Distribution Coefficient, logD

-0.550

Water Solubility, LogSw

-2.77

Polar Surface Area

69.803

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

N081-0783 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

SH2 PTB Focused Library (6188 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with N081-0783 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N081-0783?
Check Price and Availability of N081-0783, 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 N081-0783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N081-0783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N081-0783
  • 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 N081-0783 available by request