0620-0008 Screening compound: ethyl 4-(3-ethoxy-3-oxopropanamido)benzoate

0620-0008 Screening compound: ethyl 4-(3-ethoxy-3-oxopropanamido)benzoate
0620-0008 Screening compound: ethyl 4-(3-ethoxy-3-oxopropanamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0620-0008
ethyl 4-(3-ethoxy-3-oxopropanamido)benzoate

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

0620-0008

Molecular Formula

C14H17NO5 (C14 H17 NO5)

Compound Name

ethyl 4-(3-ethoxy-3-oxopropanamido)benzoate

IUPAC name

ethyl 4-(3-ethoxy-3-oxopropanamido)benzoate

SMILES

CCOC(CC(Nc(cc1)ccc1C(OCC)=O)=O)=O

InChI

InChI=1S/C14H17NO5/c1-3-19-13(17)9-12(16)15-11-7-5-10(6-8-11)14(18)20-4-2/h5-8H,3-4,9H2,1-2H3,(H,15,16)

InChI Key

XLQXDRKONKJVRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00572628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.130

Distribution Coefficient, logD

2.130

Water Solubility, LogSw

-2.79

Polar Surface Area

64.300

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

0620-0008 in Drug Discovery

Included in Screening Libraries

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 0620-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0620-0008?
Check Price and Availability of 0620-0008, 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 0620-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0620-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0620-0008
  • 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 0620-0008 available by request