6228-0477 Screening compound: 4-methyl-4-{2-oxo-2-[(2,4,6-trimethylcyclohex-3-en-1-yl)methoxy]ethyl}morpholin-4-ium

6228-0477 Screening compound: 4-methyl-4-{2-oxo-2-[(2,4,6-trimethylcyclohex-3-en-1-yl)methoxy]ethyl}morpholin-4-ium
6228-0477 Screening compound: 4-methyl-4-{2-oxo-2-[(2,4,6-trimethylcyclohex-3-en-1-yl)methoxy]ethyl}morpholin-4-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-0477
4-methyl-4-{2-oxo-2-[(2,4,6-trimethylcyclohex-3-en-1-yl)methoxy]ethyl}morpholin-4-ium

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

6228-0477

Molecular Formula

C17H30NO3 (C17 H30 NO3)

Compound Name

4-methyl-4-{2-oxo-2-[(2,4,6-trimethylcyclohex-3-en-1-yl)methoxy]ethyl}morpholin-4-ium

IUPAC name

4-methyl-4-{2-oxo-2-[(246-trimethylcyclohex-3-en-1-yl)methoxy]ethyl}morpholin-4-ium

SMILES

CC1C(COC(C[N+]2(C)CCOCC2)=O)C(C)C=C(C)C1

InChI

InChI=1S/C17H30NO3/c1-13-9-14(2)16(15(3)10-13)12-21-17(19)11-18(4)5-7-20-8-6-18/h9,14-16H,5-8,10-12H2,1-4H3/q+1

InChI Key

IQEPDWNNDXWUOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02734305

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

296.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.349

Distribution Coefficient, logD

2.349

Water Solubility, LogSw

-2.16

Polar Surface Area

29.280

Acid Dissociation Constant (pKa)

24.73

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

82.40

6228-0477 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 6228-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-0477?
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What is the minimum amount of 6228-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-0477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-0477
  • 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 6228-0477 available by request