8014-5575 Screening compound: 3-(benzoyloxy)-1-[2-(4-bromophenyl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octane

8014-5575 Screening compound: 3-(benzoyloxy)-1-[2-(4-bromophenyl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octane
8014-5575 Screening compound: 3-(benzoyloxy)-1-[2-(4-bromophenyl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-5575
3-(benzoyloxy)-1-[2-(4-bromophenyl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octane

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

8014-5575

Molecular Formula

C22H23BrNO3 (C22 H23 BrNO3)

Compound Name

3-(benzoyloxy)-1-[2-(4-bromophenyl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octane

IUPAC name

3-(benzoyloxy)-1-[2-(4-bromophenyl)-2-oxoethyl]-1-azabicyclo[2.2.2]octan-1-ium

SMILES

O=C(C[N+]1(CCC2CC1)CC2OC(c1ccccc1)=O)c(cc1)ccc1Br

InChI

InChI=1S/C22H23BrNO3/c23-19-8-6-16(7-9-19)20(25)14-24-12-10-17(11-13-24)21(15-24)27-22(26)18-4-2-1-3-5-18/h1-9,17,21H,10-15H2/q+1/t17?,21-,24?/m0/s1

InChI Key

WIHBBLOJXUMORN-LBVATQBMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

429.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.365

Distribution Coefficient, logD

4.365

Water Solubility, LogSw

-4.41

Polar Surface Area

33.709

Acid Dissociation Constant (pKa)

21.81

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

References: we are preparing a list of scientific research reports with 8014-5575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-5575?
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What is the minimum amount of 8014-5575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-5575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-5575
  • 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 8014-5575 available by request