8019-0373 Screening compound: (5S)-3-(4-methoxyphenyl)-5-methyl-5-[(1R)-4-methyl-3-cyclohexenyl]-4,5-dihydroisoxazole

8019-0373 Screening compound: (5S)-3-(4-methoxyphenyl)-5-methyl-5-[(1R)-4-methyl-3-cyclohexenyl]-4,5-dihydroisoxazole
8019-0373 Screening compound: (5S)-3-(4-methoxyphenyl)-5-methyl-5-[(1R)-4-methyl-3-cyclohexenyl]-4,5-dihydroisoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-0373
(5S)-3-(4-methoxyphenyl)-5-methyl-5-[(1R)-4-methyl-3-cyclohexenyl]-4,5-dihydroisoxazole

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

8019-0373

Molecular Formula

C18H23NO2 (C18 H23 NO2)

Compound Name

(5S)-3-(4-methoxyphenyl)-5-methyl-5-[(1R)-4-methyl-3-cyclohexenyl]-4,5-dihydroisoxazole

IUPAC name

3-(4-methoxyphenyl)-5-methyl-5-[(1R)-4-methylcyclohex-3-en-1-yl]-45-dihydro-12-oxazole

SMILES

CC(C1)(C2CC=C(C)CC2)ON=C1c(cc1)ccc1OC

InChI

InChI=1S/C18H23NO2/c1-13-4-8-15(9-5-13)18(2)12-17(19-21-18)14-6-10-16(20-3)11-7-14/h4,6-7,10-11,15H,5,8-9,12H2,1-3H3/t15-,18?/m1/s1

InChI Key

DFLVNNXOLXWXPP-NNJIEVJOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.997

Distribution Coefficient, logD

4.997

Water Solubility, LogSw

-4.68

Polar Surface Area

29.593

Acid Dissociation Constant (pKa)

24.29

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

8019-0373 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-0373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-0373?
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What is the minimum amount of 8019-0373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-0373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-0373
  • 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 8019-0373 available by request