8015-2995 Screening compound: 3-(4-tert-butylphenyl)-3-(2-phenylacetamido)propanoic acid

8015-2995 Screening compound: 3-(4-tert-butylphenyl)-3-(2-phenylacetamido)propanoic acid
8015-2995 Screening compound: 3-(4-tert-butylphenyl)-3-(2-phenylacetamido)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-2995
3-(4-tert-butylphenyl)-3-(2-phenylacetamido)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

8015-2995

Molecular Formula

C21H25NO3 (C21 H25 NO3)

Compound Name

3-(4-tert-butylphenyl)-3-(2-phenylacetamido)propanoic acid

IUPAC name

3-(4-tert-butylphenyl)-3-(2-phenylacetamido)propanoic acid

SMILES

CC(C)(C)c1ccc(C(CC(O)=O)NC(Cc2ccccc2)=O)cc1

InChI

InChI=1S/C21H25NO3/c1-21(2,3)17-11-9-16(10-12-17)18(14-20(24)25)22-19(23)13-15-7-5-4-6-8-15/h4-12,18H,13-14H2,1-3H3,(H,22,23)(H,24,25)/t18-/m0/s1

InChI Key

GLXOJZFFKJUVNN-SFHVURJKSA-N

MDL Number (MFCD)

MFCD04060480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.43

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

4.012

Distribution Coefficient, logD

1.374

Water Solubility, LogSw

-4.14

Polar Surface Area

52.453

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8015-2995 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Glucocorticoid receptors Library (4806 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8015-2995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-2995?
Check Price and Availability of 8015-2995, 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 8015-2995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-2995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-2995
  • 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 8015-2995 available by request