8004-6181 Screening compound: 3-[(2-phenylethyl)carbamoyl]propanoate

8004-6181 Screening compound: 3-[(2-phenylethyl)carbamoyl]propanoate
8004-6181 Screening compound: 3-[(2-phenylethyl)carbamoyl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-6181
3-[(2-phenylethyl)carbamoyl]propanoate

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

8004-6181

Molecular Formula

C12H14NO3 (C12 H14 NO3)

Compound Name

3-[(2-phenylethyl)carbamoyl]propanoate

IUPAC name

3-[(2-phenylethyl)carbamoyl]propanoate

SMILES

[O-]C(CCC(NCCc1ccccc1)=O)=O

InChI

InChI=1S/C12H15NO3/c14-11(6-7-12(15)16)13-9-8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,14)(H,15,16)/p-1

InChI Key

ZMYKITJYWFYRFJ-UHFFFAOYSA-M

MDL Number (MFCD)

MFCD00739835

Chemical and Physical Properties

Saltdata

Na+

Molecular Weight

220.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.265

Distribution Coefficient, logD

0.265

Water Solubility, LogSw

-1.46

Polar Surface Area

52.935

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8004-6181 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Proteases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8004-6181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-6181?
Check Price and Availability of 8004-6181, 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 8004-6181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-6181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-6181
  • 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 8004-6181 available by request