5554-1323 Screening compound: benzyldimethyl[({2,3,3-trimethylbicyclo[2.2.1]heptan-2-yl}carbamoyl)methyl]azanium

5554-1323 Screening compound: benzyldimethyl[({2,3,3-trimethylbicyclo[2.2.1]heptan-2-yl}carbamoyl)methyl]azanium
5554-1323 Screening compound: benzyldimethyl[({2,3,3-trimethylbicyclo[2.2.1]heptan-2-yl}carbamoyl)methyl]azanium alternative view

Chemical Structure Depiction of ChemDiv screening compound 5554-1323
benzyldimethyl[({2,3,3-trimethylbicyclo[2.2.1]heptan-2-yl}carbamoyl)methyl]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

5554-1323

Molecular Formula

C21H33N2O (C21 H33 N2 O)

Compound Name

benzyldimethyl[({2,3,3-trimethylbicyclo[2.2.1]heptan-2-yl}carbamoyl)methyl]azanium

IUPAC name

benzyldimethyl({[(1R4S)-233-trimethylbicyclo[2.2.1]heptan-2-yl]carbamoyl}methyl)azanium

SMILES

CC(C)([C@H]1C[C@@H]2CC1)C2(C)NC(C[N+](C)(C)Cc1ccccc1)=O

InChI

InChI=1S/C21H32N2O/c1-20(2)17-11-12-18(13-17)21(20,3)22-19(24)15-23(4,5)14-16-9-7-6-8-10-16/h6-10,17-18H,11-15H2,1-5H3/p+1/t17-,18-,21?/m0/s1

InChI Key

ROMHPUVAZGVPHJ-GAOSQQNJSA-O

MDL Number (MFCD)

MFCD01955241

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

329.51

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.624

Distribution Coefficient, logD

4.624

Water Solubility, LogSw

-4.26

Polar Surface Area

25.803

Acid Dissociation Constant (pKa)

14.48

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

66.70

References: we are preparing a list of scientific research reports with 5554-1323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5554-1323?
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What is the minimum amount of 5554-1323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5554-1323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5554-1323
  • 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 5554-1323 available by request