3578-0893 Screening compound: 2-{[(4-methoxyphenyl)carbamoyl]methyl}-3-phenylbutanoic acid

3578-0893 Screening compound: 2-{[(4-methoxyphenyl)carbamoyl]methyl}-3-phenylbutanoic acid
3578-0893 Screening compound: 2-{[(4-methoxyphenyl)carbamoyl]methyl}-3-phenylbutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3578-0893
2-{[(4-methoxyphenyl)carbamoyl]methyl}-3-phenylbutanoic 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

3578-0893

Molecular Formula

C19H21NO4 (C19 H21 NO4)

Compound Name

2-{[(4-methoxyphenyl)carbamoyl]methyl}-3-phenylbutanoic acid

IUPAC name

2-{[(4-methoxyphenyl)carbamoyl]methyl}-3-phenylbutanoic acid

SMILES

CC(C(CC(Nc(cc1)ccc1OC)=O)C(O)=O)c1ccccc1

InChI

InChI=1S/C19H21NO4/c1-13(14-6-4-3-5-7-14)17(19(22)23)12-18(21)20-15-8-10-16(24-2)11-9-15/h3-11,13,17H,12H2,1-2H3,(H,20,21)(H,22,23)

InChI Key

ZJYVULGZOQUTOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02733107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.772

Distribution Coefficient, logD

0.149

Water Solubility, LogSw

-3.25

Polar Surface Area

59.068

Acid Dissociation Constant (pKa)

4.78

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.30

3578-0893 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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 3578-0893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3578-0893?
Check Price and Availability of 3578-0893, 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 3578-0893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3578-0893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3578-0893
  • 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 3578-0893 available by request