D104-0006 Screening compound: 3-(2,2-diphenylacetamido)-3-(4-fluorophenyl)propanoic acid

D104-0006 Screening compound: 3-(2,2-diphenylacetamido)-3-(4-fluorophenyl)propanoic acid
D104-0006 Screening compound: 3-(2,2-diphenylacetamido)-3-(4-fluorophenyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D104-0006
3-(2,2-diphenylacetamido)-3-(4-fluorophenyl)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

D104-0006

Molecular Formula

C23H20FNO3 (C23 H20 FNO3)

Compound Name

3-(2,2-diphenylacetamido)-3-(4-fluorophenyl)propanoic acid

IUPAC name

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

SMILES

OC(CC(c(cc1)ccc1F)NC(C(c1ccccc1)c1ccccc1)=O)=O

InChI

InChI=1S/C23H20FNO3/c24-19-13-11-16(12-14-19)20(15-21(26)27)25-23(28)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20,22H,15H2,(H,25,28)(H,26,27)/t20-/m0/s1

InChI Key

UHIOJZQQVZDHTK-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03158690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.936

Distribution Coefficient, logD

1.298

Water Solubility, LogSw

-4.05

Polar Surface Area

52.394

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-2.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

D104-0006 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

DGK Inhibitors Library (10558 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D104-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D104-0006?
Check Price and Availability of D104-0006, 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 D104-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D104-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D104-0006
  • 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 D104-0006 available by request