3075-0779 Screening compound: 3-{[2-(2H-1,3-benzodioxol-5-yl)ethyl]carbamoyl}-2-(oxolan-2-yl)propanoic acid

3075-0779 Screening compound: 3-{[2-(2H-1,3-benzodioxol-5-yl)ethyl]carbamoyl}-2-(oxolan-2-yl)propanoic acid
3075-0779 Screening compound: 3-{[2-(2H-1,3-benzodioxol-5-yl)ethyl]carbamoyl}-2-(oxolan-2-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3075-0779
3-{[2-(2H-1,3-benzodioxol-5-yl)ethyl]carbamoyl}-2-(oxolan-2-yl)propanoic 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

3075-0779

Molecular Formula

C17H21NO6 (C17 H21 NO6)

Compound Name

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

IUPAC name

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

SMILES

OC(C(CC(NCCc(cc1)cc2c1OCO2)=O)C1OCCC1)=O

InChI

InChI=1S/C17H21NO6/c19-16(9-12(17(20)21)13-2-1-7-22-13)18-6-5-11-3-4-14-15(8-11)24-10-23-14/h3-4,8,12-13H,1-2,5-7,9-10H2,(H,18,19)(H,20,21)

InChI Key

LYCIEYFODKZDIE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.239

Distribution Coefficient, logD

-2.481

Water Solubility, LogSw

-2.07

Polar Surface Area

78.215

Acid Dissociation Constant (pKa)

4.68

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.90

References: we are preparing a list of scientific research reports with 3075-0779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3075-0779?
Check Price and Availability of 3075-0779, 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 3075-0779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3075-0779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3075-0779
  • 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 3075-0779 available by request