6049-1962 Screening compound: 3-{[2-(3-chlorophenyl)ethyl]carbamoyl}propanoic acid

6049-1962 Screening compound: 3-{[2-(3-chlorophenyl)ethyl]carbamoyl}propanoic acid
6049-1962 Screening compound: 3-{[2-(3-chlorophenyl)ethyl]carbamoyl}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-1962
3-{[2-(3-chlorophenyl)ethyl]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

6049-1962

Molecular Formula

C12H14ClNO3 (C12 H14 ClNO3)

Compound Name

3-{[2-(3-chlorophenyl)ethyl]carbamoyl}propanoic acid

IUPAC name

3-{[2-(3-chlorophenyl)ethyl]carbamoyl}propanoic acid

SMILES

OC(CCC(NCCc1cccc(Cl)c1)=O)=O

InChI

InChI=1S/C12H14ClNO3/c13-10-3-1-2-9(8-10)6-7-14-11(15)4-5-12(16)17/h1-3,8H,4-7H2,(H,14,15)(H,16,17)

InChI Key

WNVATQGMCGKEQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03381031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.7

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.864

Distribution Coefficient, logD

-2.085

Water Solubility, LogSw

-2.10

Polar Surface Area

52.935

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

6049-1962 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Soluble Diversity Library (15920 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
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6049-1962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-1962?
Check Price and Availability of 6049-1962, 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 6049-1962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-1962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-1962
  • 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 6049-1962 available by request