8005-4234 Screening compound: 2-oxo-2-phenylethyl 4-[(4-methylphenyl)carbamoyl]butanoate

8005-4234 Screening compound: 2-oxo-2-phenylethyl 4-[(4-methylphenyl)carbamoyl]butanoate
8005-4234 Screening compound: 2-oxo-2-phenylethyl 4-[(4-methylphenyl)carbamoyl]butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-4234
2-oxo-2-phenylethyl 4-[(4-methylphenyl)carbamoyl]butanoate

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

8005-4234

Molecular Formula

C20H21NO4 (C20 H21 NO4)

Compound Name

2-oxo-2-phenylethyl 4-[(4-methylphenyl)carbamoyl]butanoate

IUPAC name

2-oxo-2-phenylethyl 4-[(4-methylphenyl)carbamoyl]butanoate

SMILES

Cc(cc1)ccc1NC(CCCC(OCC(c1ccccc1)=O)=O)=O

InChI

InChI=1S/C20H21NO4/c1-15-10-12-17(13-11-15)21-19(23)8-5-9-20(24)25-14-18(22)16-6-3-2-4-7-16/h2-4,6-7,10-13H,5,8-9,14H2,1H3,(H,21,23)

InChI Key

BJVUGJXGMAPHTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00819627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.917

Distribution Coefficient, logD

2.917

Water Solubility, LogSw

-3.52

Polar Surface Area

56.897

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8005-4234 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8005-4234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-4234?
Check Price and Availability of 8005-4234, 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 8005-4234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-4234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-4234
  • 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 8005-4234 available by request