8014-5582 Screening compound: 3-hydroxy-1-[2-(4-nitrophenyl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octane

8014-5582 Screening compound: 3-hydroxy-1-[2-(4-nitrophenyl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octane
8014-5582 Screening compound: 3-hydroxy-1-[2-(4-nitrophenyl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-5582
3-hydroxy-1-[2-(4-nitrophenyl)-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

8014-5582

Molecular Formula

C15H19N2O4 (C15 H19 N2 O4)

Compound Name

3-hydroxy-1-[2-(4-nitrophenyl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octane

IUPAC name

3-hydroxy-1-[2-(4-nitrophenyl)-2-oxoethyl]-1-azabicyclo[2.2.2]octan-1-ium

SMILES

[O-][N+](c(cc1)ccc1C(C[N+]1(CCC2CC1)CC2O)=O)=O

InChI

InChI=1S/C15H19N2O4/c18-14(11-1-3-13(4-2-11)16(20)21)9-17-7-5-12(6-8-17)15(19)10-17/h1-4,12,15,19H,5-10H2/q+1/t12?,15-,17?/m0/s1

InChI Key

FJBTYBSYEYVQHH-VXKCQOAXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

291.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.239

Distribution Coefficient, logD

1.239

Water Solubility, LogSw

-2.22

Polar Surface Area

62.872

Acid Dissociation Constant (pKa)

17.06

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.33

References: we are preparing a list of scientific research reports with 8014-5582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-5582?
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What is the minimum amount of 8014-5582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-5582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-5582
  • 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 8014-5582 available by request