1651-0033 Screening compound: 3-[(1-phenylethyl)carbamoyl]propanoic acid

1651-0033 Screening compound: 3-[(1-phenylethyl)carbamoyl]propanoic acid
1651-0033 Screening compound: 3-[(1-phenylethyl)carbamoyl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1651-0033
3-[(1-phenylethyl)carbamoyl]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

1651-0033

Molecular Formula

C12H15NO3 (C12 H15 NO3)

Compound Name

3-[(1-phenylethyl)carbamoyl]propanoic acid

IUPAC name

3-[(1-phenylethyl)carbamoyl]propanoic acid

SMILES

CC(c1ccccc1)NC(CCC(O)=O)=O

InChI

InChI=1S/C12H15NO3/c1-9(10-5-3-2-4-6-10)13-11(14)7-8-12(15)16/h2-6,9H,7-8H2,1H3,(H,13,14)(H,15,16)/t9-/m0/s1

InChI Key

WUEKFTPKHWMMIP-VIFPVBQESA-N

MDL Number (MFCD)

MFCD00040436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

221.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.847

Distribution Coefficient, logD

-2.102

Water Solubility, LogSw

-1.70

Polar Surface Area

52.257

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-0.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

1651-0033 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Frequent Hitters Library (7624 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Structure:
  • Pool
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1651-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1651-0033?
Check Price and Availability of 1651-0033, 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 1651-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1651-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1651-0033
  • 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 1651-0033 available by request