0104-0063 Screening compound: pentyl 2-(3-oxo-3-phenylpropanamido)benzoate

0104-0063 Screening compound: pentyl 2-(3-oxo-3-phenylpropanamido)benzoate
0104-0063 Screening compound: pentyl 2-(3-oxo-3-phenylpropanamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0104-0063
pentyl 2-(3-oxo-3-phenylpropanamido)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

0104-0063

Molecular Formula

C21H23NO4 (C21 H23 NO4)

Compound Name

pentyl 2-(3-oxo-3-phenylpropanamido)benzoate

IUPAC name

pentyl 2-(3-oxo-3-phenylpropanamido)benzoate

SMILES

CCCCCOC(c(cccc1)c1NC(CC(c1ccccc1)=O)=O)=O

InChI

InChI=1S/C21H23NO4/c1-2-3-9-14-26-21(25)17-12-7-8-13-18(17)22-20(24)15-19(23)16-10-5-4-6-11-16/h4-8,10-13H,2-3,9,14-15H2,1H3,(H,22,24)

InChI Key

ZFEVOVONSIAFFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00369678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.125

Distribution Coefficient, logD

4.093

Water Solubility, LogSw

-4.36

Polar Surface Area

56.713

Acid Dissociation Constant (pKa)

8.52

Base Dissociation Constant (pKb)

-3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 0104-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0104-0063?
Check Price and Availability of 0104-0063, 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 0104-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0104-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0104-0063
  • 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 0104-0063 available by request