6299-0100 Screening compound: dimethyl[2-(4-phenyloxane-4-carbonyloxy)ethyl]azanium

6299-0100 Screening compound: dimethyl[2-(4-phenyloxane-4-carbonyloxy)ethyl]azanium
6299-0100 Screening compound: dimethyl[2-(4-phenyloxane-4-carbonyloxy)ethyl]azanium alternative view

Chemical Structure Depiction of ChemDiv screening compound 6299-0100
dimethyl[2-(4-phenyloxane-4-carbonyloxy)ethyl]azanium

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

6299-0100

Molecular Formula

C16H24NO3 (C16 H24 NO3)

Compound Name

dimethyl[2-(4-phenyloxane-4-carbonyloxy)ethyl]azanium

IUPAC name

dimethyl[2-(4-phenyloxane-4-carbonyloxy)ethyl]azanium

SMILES

C[NH+](C)CCOC(C1(CCOCC1)c1ccccc1)=O

InChI

InChI=1S/C16H23NO3/c1-17(2)10-13-20-15(18)16(8-11-19-12-9-16)14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3/p+1

InChI Key

VHNHOBKTWVIXIL-UHFFFAOYSA-O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

278.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.218

Distribution Coefficient, logD

2.218

Water Solubility, LogSw

-2.14

Polar Surface Area

32.981

Acid Dissociation Constant (pKa)

26.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

6299-0100 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6299-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6299-0100?
Check Price and Availability of 6299-0100, 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 6299-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6299-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6299-0100
  • 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 6299-0100 available by request