4553-3777 Screening compound: 3-[(3-chlorophenyl)carbamoyl]-2-(propylamino)propanoic acid

4553-3777 Screening compound: 3-[(3-chlorophenyl)carbamoyl]-2-(propylamino)propanoic acid
4553-3777 Screening compound: 3-[(3-chlorophenyl)carbamoyl]-2-(propylamino)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4553-3777
3-[(3-chlorophenyl)carbamoyl]-2-(propylamino)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

4553-3777

Molecular Formula

C13H17ClN2O3 (C13 H17 ClN2 O3)

Compound Name

3-[(3-chlorophenyl)carbamoyl]-2-(propylamino)propanoic acid

IUPAC name

3-[(3-chlorophenyl)carbamoyl]-2-(propylamino)propanoic acid

SMILES

CCCNC(CC(Nc1cccc(Cl)c1)=O)C(O)=O

InChI

InChI=1S/C13H17ClN2O3/c1-2-6-15-11(13(18)19)8-12(17)16-10-5-3-4-9(14)7-10/h3-5,7,11,15H,2,6,8H2,1H3,(H,16,17)(H,18,19)/t11-/m0/s1

InChI Key

GFEBRDZXUFUOGU-NSHDSACASA-N

MDL Number (MFCD)

MFCD02943981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.74

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.147

Distribution Coefficient, logD

-1.973

Water Solubility, LogSw

-2.35

Polar Surface Area

63.096

Acid Dissociation Constant (pKa)

2.41

Base Dissociation Constant (pKb)

8.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

4553-3777 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4553-3777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4553-3777?
Check Price and Availability of 4553-3777, 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 4553-3777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4553-3777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4553-3777
  • 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 4553-3777 available by request