D090-0153F Screening compound: 2-[(1-hydroxynaphthalen-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-one

D090-0153F Screening compound: 2-[(1-hydroxynaphthalen-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-one
D090-0153F Screening compound: 2-[(1-hydroxynaphthalen-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D090-0153F
2-[(1-hydroxynaphthalen-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-one

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

D090-0153F

Molecular Formula

C18H19NO2 (C18 H19 NO2)

Compound Name

2-[(1-hydroxynaphthalen-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-one

IUPAC name

2-[(1-hydroxynaphthalen-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-one

SMILES

Oc1c(CC2N(CC3)CCC3C2=O)ccc2ccccc12

InChI

InChI=1S/C18H19NO2/c20-17-14(6-5-12-3-1-2-4-15(12)17)11-16-18(21)13-7-9-19(16)10-8-13/h1-6,13,16,20H,7-11H2/t16-/m0/s1

InChI Key

BLKVWKSXSUBHHH-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.068

Distribution Coefficient, logD

3.059

Water Solubility, LogSw

-3.28

Polar Surface Area

31.852

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with D090-0153F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D090-0153F?
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What is the minimum amount of D090-0153F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D090-0153F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D090-0153F
  • 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 D090-0153F available by request