4286-0116 Screening compound: 1-(2-ethoxy-2-oxoethyl)-3-(hydroxydiphenylmethyl)-1-azabicyclo[2.2.2]octan-1-ium

4286-0116 Screening compound: 1-(2-ethoxy-2-oxoethyl)-3-(hydroxydiphenylmethyl)-1-azabicyclo[2.2.2]octan-1-ium
4286-0116 Screening compound: 1-(2-ethoxy-2-oxoethyl)-3-(hydroxydiphenylmethyl)-1-azabicyclo[2.2.2]octan-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 4286-0116
1-(2-ethoxy-2-oxoethyl)-3-(hydroxydiphenylmethyl)-1-azabicyclo[2.2.2]octan-1-ium

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

4286-0116

Molecular Formula

C24H30NO3 (C24 H30 NO3)

Compound Name

1-(2-ethoxy-2-oxoethyl)-3-(hydroxydiphenylmethyl)-1-azabicyclo[2.2.2]octan-1-ium

IUPAC name

1-(2-ethoxy-2-oxoethyl)-3-(hydroxydiphenylmethyl)-1-azabicyclo[2.2.2]octan-1-ium

SMILES

CCOC(C[N+]1(CCC2CC1)CC2C(c1ccccc1)(c1ccccc1)O)=O

InChI

InChI=1S/C24H30NO3/c1-2-28-23(26)18-25-15-13-19(14-16-25)22(17-25)24(27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,22,27H,2,13-18H2,1H3/q+1/t19?,22-,25?/m0/s1

InChI Key

SMJGBAZFCYTANQ-WQNVSQMQSA-N

MDL Number (MFCD)

MFCD02934323

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

380.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.762

Distribution Coefficient, logD

3.762

Water Solubility, LogSw

-3.81

Polar Surface Area

35.583

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

4286-0116 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 4286-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4286-0116?
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What is the minimum amount of 4286-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4286-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4286-0116
  • 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 4286-0116 available by request