0052-0007 Screening compound: 4-(4-heptylphenyl)-4-oxobutanoic acid

0052-0007 Screening compound: 4-(4-heptylphenyl)-4-oxobutanoic acid
0052-0007 Screening compound: 4-(4-heptylphenyl)-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0052-0007
4-(4-heptylphenyl)-4-oxobutanoic 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

0052-0007

Molecular Formula

C17H24O3 (C17 H24 O3)

Compound Name

4-(4-heptylphenyl)-4-oxobutanoic acid

IUPAC name

4-(4-heptylphenyl)-4-oxobutanoic acid

SMILES

CCCCCCCc(cc1)ccc1C(CCC(O)=O)=O

InChI

InChI=1S/C17H24O3/c1-2-3-4-5-6-7-14-8-10-15(11-9-14)16(18)12-13-17(19)20/h8-11H,2-7,12-13H2,1H3,(H,19,20)

InChI Key

LRAJLMGRXDVQNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00173761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.850

Distribution Coefficient, logD

2.090

Water Solubility, LogSw

-4.66

Polar Surface Area

41.869

Acid Dissociation Constant (pKa)

4.64

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

0052-0007 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Regenerative Medicine Focused Library (23016 compounds)

STING Agonist Library (5895 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0052-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0052-0007?
Check Price and Availability of 0052-0007, 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 0052-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0052-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0052-0007
  • 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 0052-0007 available by request