3886-1227 Screening compound: 8-methyl-8-azabicyclo[3.2.1]octan-3-yl 4-ethoxybenzoate

3886-1227 Screening compound: 8-methyl-8-azabicyclo[3.2.1]octan-3-yl 4-ethoxybenzoate
3886-1227 Screening compound: 8-methyl-8-azabicyclo[3.2.1]octan-3-yl 4-ethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3886-1227
8-methyl-8-azabicyclo[3.2.1]octan-3-yl 4-ethoxybenzoate

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

3886-1227

Molecular Formula

C17H23NO3 (C17 H23 NO3)

Compound Name

8-methyl-8-azabicyclo[3.2.1]octan-3-yl 4-ethoxybenzoate

IUPAC name

8-methyl-8-azabicyclo[3.2.1]octan-3-yl 4-ethoxybenzoate

SMILES

CCOc(cc1)ccc1C(OC1CC(CC2)N(C)C2C1)=O

InChI

InChI=1S/C17H23NO3/c1-3-20-15-8-4-12(5-9-15)17(19)21-16-10-13-6-7-14(11-16)18(13)2/h4-5,8-9,13-14,16H,3,6-7,10-11H2,1-2H3

InChI Key

SECVMSAYDWBWJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03447182

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

289.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.102

Distribution Coefficient, logD

-0.542

Water Solubility, LogSw

-2.41

Polar Surface Area

30.227

Acid Dissociation Constant (pKa)

27.44

Base Dissociation Constant (pKb)

10.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.82

3886-1227 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 3886-1227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3886-1227?
Check Price and Availability of 3886-1227, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3886-1227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3886-1227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3886-1227
  • 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 3886-1227 available by request