8006-0806 Screening compound: 4-(4-ethoxyphenyl)-4-oxobutanoic acid

8006-0806 Screening compound: 4-(4-ethoxyphenyl)-4-oxobutanoic acid
8006-0806 Screening compound: 4-(4-ethoxyphenyl)-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-0806
4-(4-ethoxyphenyl)-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

8006-0806

Molecular Formula

C12H14O4 (C12 H14 O4)

Compound Name

4-(4-ethoxyphenyl)-4-oxobutanoic acid

IUPAC name

4-(4-ethoxyphenyl)-4-oxobutanoic acid

SMILES

CCOc(cc1)ccc1C(CCC(O)=O)=O

InChI

InChI=1S/C12H14O4/c1-2-16-10-5-3-9(4-6-10)11(13)7-8-12(14)15/h3-6H,2,7-8H2,1H3,(H,14,15)

InChI Key

HXMFVOXVXQBEEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00100659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.704

Distribution Coefficient, logD

-1.057

Water Solubility, LogSw

-1.96

Polar Surface Area

48.993

Acid Dissociation Constant (pKa)

4.64

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8006-0806 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Cancer
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Pool
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8006-0806 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-0806?
Check Price and Availability of 8006-0806, 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 8006-0806 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-0806
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-0806
  • 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 8006-0806 available by request