0088-0014 Screening compound: (2E)-4-[4-(hexyloxy)phenyl]-4-oxobut-2-enoic acid

0088-0014 Screening compound: (2E)-4-[4-(hexyloxy)phenyl]-4-oxobut-2-enoic acid
0088-0014 Screening compound: (2E)-4-[4-(hexyloxy)phenyl]-4-oxobut-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0088-0014
(2E)-4-[4-(hexyloxy)phenyl]-4-oxobut-2-enoic 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

0088-0014

Molecular Formula

C16H20O4 (C16 H20 O4)

Compound Name

(2E)-4-[4-(hexyloxy)phenyl]-4-oxobut-2-enoic acid

IUPAC name

(2E)-4-[4-(hexyloxy)phenyl]-4-oxobut-2-enoic acid

SMILES

CCCCCCOc(cc1)ccc1C(/C=C/C(O)=O)=O

InChI

InChI=1S/C16H20O4/c1-2-3-4-5-12-20-14-8-6-13(7-9-14)15(17)10-11-16(18)19/h6-11H,2-5,12H2,1H3,(H,18,19)

InChI Key

GQKZSPXSUCFRMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00982104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.059

Distribution Coefficient, logD

-1.393

Water Solubility, LogSw

-3.86

Polar Surface Area

49.287

Acid Dissociation Constant (pKa)

1.95

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

0088-0014 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0088-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0088-0014?
Check Price and Availability of 0088-0014, 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 0088-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0088-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0088-0014
  • 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 0088-0014 available by request