FF20-1247 Screening compound: 3-(4-methoxybenzenesulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane

FF20-1247 Screening compound: 3-(4-methoxybenzenesulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane
FF20-1247 Screening compound: 3-(4-methoxybenzenesulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane alternative view

Chemical Structure Depiction of ChemDiv screening compound FF20-1247
3-(4-methoxybenzenesulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane

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

FF20-1247

Molecular Formula

C13H18N2O4S (C13 H18 N2 O4 S)

Compound Name

3-(4-methoxybenzenesulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane

IUPAC name

(1S5S)-3-(4-methoxybenzenesulfonyl)-9-oxa-37-diazabicyclo[3.3.1]nonane

SMILES

COc(cc1)ccc1S(N1C[C@H](CNC2)O[C@@H]2C1)(=O)=O

InChI

InChI=1S/C13H18N2O4S/c1-18-10-2-4-13(5-3-10)20(16,17)15-8-11-6-14-7-12(9-15)19-11/h2-5,11-12,14H,6-9H2,1H3/t11-,12+

InChI Key

VRQXUFIUWRGLOE-TXEJJXNPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.574

Distribution Coefficient, logD

0.349

Water Solubility, LogSw

-2.36

Polar Surface Area

57.651

Acid Dissociation Constant (pKa)

26.45

Base Dissociation Constant (pKb)

7.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.85

FF20-1247 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with FF20-1247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound FF20-1247?
Check Price and Availability of FF20-1247, 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 FF20-1247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for FF20-1247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for FF20-1247
  • 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 FF20-1247 available by request