K088-0066 Screening compound: (4Z)-2-(4-butylphenyl)-4-{[4-(octyloxy)phenyl]methylidene}-4,5-dihydro-1,3-oxazol-5-one

K088-0066 Screening compound: (4Z)-2-(4-butylphenyl)-4-{[4-(octyloxy)phenyl]methylidene}-4,5-dihydro-1,3-oxazol-5-one
K088-0066 Screening compound: (4Z)-2-(4-butylphenyl)-4-{[4-(octyloxy)phenyl]methylidene}-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K088-0066
(4Z)-2-(4-butylphenyl)-4-{[4-(octyloxy)phenyl]methylidene}-4,5-dihydro-1,3-oxazol-5-one

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

K088-0066

Molecular Formula

C28H35NO3 (C28 H35 NO3)

Compound Name

(4Z)-2-(4-butylphenyl)-4-{[4-(octyloxy)phenyl]methylidene}-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4Z)-2-(4-butylphenyl)-4-{[4-(octyloxy)phenyl]methylidene}-45-dihydro-13-oxazol-5-one

SMILES

CCCCCCCCOc1ccc(/C=C2\N=C(c3ccc(CCCC)cc3)OC2=O)cc1

InChI

InChI=1S/C28H35NO3/c1-3-5-7-8-9-10-20-31-25-18-14-23(15-19-25)21-26-28(30)32-27(29-26)24-16-12-22(13-17-24)11-6-4-2/h12-19,21H,3-11,20H2,1-2H3

InChI Key

QPJHLLMCIBVQMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01539114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.737

Distribution Coefficient, logD

8.737

Water Solubility, LogSw

-5.85

Polar Surface Area

37.793

Acid Dissociation Constant (pKa)

26.34

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

K088-0066 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Glucocorticoid receptors Library (4806 compounds)

Protein-Protein Interaction Library (218420 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Nuclear receptors
  • Phosphatases

References: we are preparing a list of scientific research reports with K088-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K088-0066?
Check Price and Availability of K088-0066, 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 K088-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K088-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K088-0066
  • 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 K088-0066 available by request