8018-6389 Screening compound: 1-[3-(4-methoxyphenyl)-5-isoxazolyl]-1-cyclohexanol

8018-6389 Screening compound: 1-[3-(4-methoxyphenyl)-5-isoxazolyl]-1-cyclohexanol
8018-6389 Screening compound: 1-[3-(4-methoxyphenyl)-5-isoxazolyl]-1-cyclohexanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6389
1-[3-(4-methoxyphenyl)-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

8018-6389

Molecular Formula

C16H19NO3 (C16 H19 NO3)

Compound Name

1-[3-(4-methoxyphenyl)-5-isoxazolyl]-1-cyclohexanol

IUPAC name

1-[3-(4-methoxyphenyl)-12-oxazol-5-yl]cyclohexan-1-ol

SMILES

COc(cc1)ccc1-c1noc(C2(CCCCC2)O)c1

InChI

InChI=1S/C16H19NO3/c1-19-13-7-5-12(6-8-13)14-11-15(20-17-14)16(18)9-3-2-4-10-16/h5-8,11,18H,2-4,9-10H2,1H3

InChI Key

JNJDFBDWIZJCLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07801031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.900

Distribution Coefficient, logD

3.900

Water Solubility, LogSw

-3.89

Polar Surface Area

44.344

Acid Dissociation Constant (pKa)

15.27

Base Dissociation Constant (pKb)

-5.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

8018-6389 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-6389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6389?
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What is the minimum amount of 8018-6389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6389
  • 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 8018-6389 available by request