5554-1013 Screening compound: ethyldimethyl[2-({1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)ethyl]azanium

5554-1013 Screening compound: ethyldimethyl[2-({1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)ethyl]azanium
5554-1013 Screening compound: ethyldimethyl[2-({1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)ethyl]azanium alternative view

Chemical Structure Depiction of ChemDiv screening compound 5554-1013
ethyldimethyl[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

5554-1013

Molecular Formula

C16H32NO (C16 H32 NO)

Compound Name

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

IUPAC name

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

SMILES

CC[N+](C)(C)CCOC1C(C)(CC2)C(C)(C)C2C1

InChI

InChI=1S/C16H32NO/c1-7-17(5,6)10-11-18-14-12-13-8-9-16(14,4)15(13,2)3/h13-14H,7-12H2,1-6H3/q+1

InChI Key

NKLPFSZKMVOBNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01947376

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

254.44

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.768

Distribution Coefficient, logD

3.768

Water Solubility, LogSw

-3.90

Polar Surface Area

8.017

Acid Dissociation Constant (pKa)

27.14

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

100.00

5554-1013 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 5554-1013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5554-1013?
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What is the minimum amount of 5554-1013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5554-1013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5554-1013
  • 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 5554-1013 available by request