8014-1397 Screening compound: 3-[(2,2-diphenylacetyl)amino]-3-(4-propoxyphenyl)propanoic acid

8014-1397 Screening compound: 3-[(2,2-diphenylacetyl)amino]-3-(4-propoxyphenyl)propanoic acid
8014-1397 Screening compound: 3-[(2,2-diphenylacetyl)amino]-3-(4-propoxyphenyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1397
3-[(2,2-diphenylacetyl)amino]-3-(4-propoxyphenyl)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

8014-1397

Molecular Formula

C26H27NO4 (C26 H27 NO4)

Compound Name

3-[(2,2-diphenylacetyl)amino]-3-(4-propoxyphenyl)propanoic acid

IUPAC name

3-(22-diphenylacetamido)-3-(4-propoxyphenyl)propanoic acid

SMILES

CCCOc1ccc(C(CC(O)=O)NC(C(c2ccccc2)c2ccccc2)=O)cc1

InChI

InChI=1S/C26H27NO4/c1-2-17-31-22-15-13-19(14-16-22)23(18-24(28)29)27-26(30)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,23,25H,2,17-18H2,1H3,(H,27,30)(H,28,29)/t23-/m0/s1

InChI Key

WQBRCBDDAXIWCS-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03761383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.866

Distribution Coefficient, logD

2.228

Water Solubility, LogSw

-4.45

Polar Surface Area

59.812

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.08

8014-1397 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Glucocorticoid receptors Library (4806 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
  • Nuclear receptors
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 8014-1397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1397?
Check Price and Availability of 8014-1397, 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 8014-1397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1397
  • 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 8014-1397 available by request