8018-5728 Screening compound: 1-(3-mesityl-5-isoxazolyl)-1-cyclohexanol

8018-5728 Screening compound: 1-(3-mesityl-5-isoxazolyl)-1-cyclohexanol
8018-5728 Screening compound: 1-(3-mesityl-5-isoxazolyl)-1-cyclohexanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5728
1-(3-mesityl-5-isoxazolyl)-1-cyclohexanol

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

8018-5728

Molecular Formula

C18H23NO2 (C18 H23 NO2)

Compound Name

1-(3-mesityl-5-isoxazolyl)-1-cyclohexanol

IUPAC name

1-[3-(246-trimethylphenyl)-12-oxazol-5-yl]cyclohexan-1-ol

SMILES

Cc1cc(C)c(-c2noc(C3(CCCCC3)O)c2)c(C)c1

InChI

InChI=1S/C18H23NO2/c1-12-9-13(2)17(14(3)10-12)15-11-16(21-19-15)18(20)7-5-4-6-8-18/h9-11,20H,4-8H2,1-3H3

InChI Key

NMPVUIHNQLAXFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.066

Distribution Coefficient, logD

5.066

Water Solubility, LogSw

-4.50

Polar Surface Area

36.800

Acid Dissociation Constant (pKa)

15.27

Base Dissociation Constant (pKb)

-6.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8018-5728 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Regenerative Medicine Focused Library (23016 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8018-5728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5728?
Check Price and Availability of 8018-5728, 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 8018-5728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5728
  • 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 8018-5728 available by request