K088-0130 Screening compound: 4-{[(4Z)-2-cyclohexyl-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate

K088-0130 Screening compound: 4-{[(4Z)-2-cyclohexyl-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate
K088-0130 Screening compound: 4-{[(4Z)-2-cyclohexyl-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K088-0130
4-{[(4Z)-2-cyclohexyl-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate

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

K088-0130

Molecular Formula

C18H19NO4 (C18 H19 NO4)

Compound Name

4-{[(4Z)-2-cyclohexyl-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate

IUPAC name

4-{[(4Z)-2-cyclohexyl-5-oxo-45-dihydro-13-oxazol-4-ylidene]methyl}phenyl acetate

SMILES

CC(Oc1ccc(/C=C2\N=C(C3CCCCC3)OC2=O)cc1)=O

InChI

InChI=1S/C18H19NO4/c1-12(20)22-15-9-7-13(8-10-15)11-16-18(21)23-17(19-16)14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3

InChI Key

AXZJZYDAGWVMSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01843633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.325

Distribution Coefficient, logD

3.325

Water Solubility, LogSw

-3.53

Polar Surface Area

51.319

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

K088-0130 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K088-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K088-0130?
Check Price and Availability of K088-0130, 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 K088-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K088-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K088-0130
  • 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 K088-0130 available by request