5585-0902 Screening compound: 3-{[4-(2-methylpropoxy)phenyl]formamido}-3-phenylpropanoic acid

5585-0902 Screening compound: 3-{[4-(2-methylpropoxy)phenyl]formamido}-3-phenylpropanoic acid
5585-0902 Screening compound: 3-{[4-(2-methylpropoxy)phenyl]formamido}-3-phenylpropanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5585-0902
3-{[4-(2-methylpropoxy)phenyl]formamido}-3-phenylpropanoic 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

5585-0902

Molecular Formula

C20H23NO4 (C20 H23 NO4)

Compound Name

3-{[4-(2-methylpropoxy)phenyl]formamido}-3-phenylpropanoic acid

IUPAC name

3-{[4-(2-methylpropoxy)phenyl]formamido}-3-phenylpropanoic acid

SMILES

CC(C)COc(cc1)ccc1C(NC(CC(O)=O)c1ccccc1)=O

InChI

InChI=1S/C20H23NO4/c1-14(2)13-25-17-10-8-16(9-11-17)20(24)21-18(12-19(22)23)15-6-4-3-5-7-15/h3-11,14,18H,12-13H2,1-2H3,(H,21,24)(H,22,23)/t18-/m0/s1

InChI Key

ITLLSEZJXZVABX-SFHVURJKSA-N

MDL Number (MFCD)

MFCD00374359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.587

Distribution Coefficient, logD

0.949

Water Solubility, LogSw

-3.56

Polar Surface Area

60.165

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-4.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

5585-0902 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5585-0902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5585-0902?
Check Price and Availability of 5585-0902, 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 5585-0902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5585-0902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5585-0902
  • 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 5585-0902 available by request