5554-1275 Screening compound: benzyldimethyl[2-oxo-2-({1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)ethyl]azanium

5554-1275 Screening compound: benzyldimethyl[2-oxo-2-({1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)ethyl]azanium
5554-1275 Screening compound: benzyldimethyl[2-oxo-2-({1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)ethyl]azanium alternative view

Chemical Structure Depiction of ChemDiv screening compound 5554-1275
benzyldimethyl[2-oxo-2-({1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)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

5554-1275

Molecular Formula

C21H32NO2 (C21 H32 NO2)

Compound Name

benzyldimethyl[2-oxo-2-({1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)ethyl]azanium

IUPAC name

benzyldimethyl[2-oxo-2-({177-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)ethyl]azanium

SMILES

CC(C)(C(CC1)C2)C1(C)C2OC(C[N+](C)(C)Cc1ccccc1)=O

InChI

InChI=1S/C21H32NO2/c1-20(2)17-11-12-21(20,3)18(13-17)24-19(23)15-22(4,5)14-16-9-7-6-8-10-16/h6-10,17-18H,11-15H2,1-5H3/q+1

InChI Key

OTIVBJHOCIYBBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827600

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

330.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.593

Distribution Coefficient, logD

4.593

Water Solubility, LogSw

-4.30

Polar Surface Area

20.679

Acid Dissociation Constant (pKa)

23.91

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

66.70

References: we are preparing a list of scientific research reports with 5554-1275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5554-1275?
Check Price and Availability of 5554-1275, 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 5554-1275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5554-1275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5554-1275
  • 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 5554-1275 available by request