S736-0248 Screening compound: 1-(3-fluorophenyl)-3-methoxy-7-(pyridine-2-carbonyl)-1,7-diazaspiro[3.5]nonane

S736-0248 Screening compound: 1-(3-fluorophenyl)-3-methoxy-7-(pyridine-2-carbonyl)-1,7-diazaspiro[3.5]nonane
S736-0248 Screening compound: 1-(3-fluorophenyl)-3-methoxy-7-(pyridine-2-carbonyl)-1,7-diazaspiro[3.5]nonane alternative view

Chemical Structure Depiction of ChemDiv screening compound S736-0248
1-(3-fluorophenyl)-3-methoxy-7-(pyridine-2-carbonyl)-1,7-diazaspiro[3.5]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

S736-0248

Molecular Formula

C20H22FN3O2 (C20 H22 FN3 O2)

Compound Name

1-(3-fluorophenyl)-3-methoxy-7-(pyridine-2-carbonyl)-1,7-diazaspiro[3.5]nonane

IUPAC name

1-(3-fluorophenyl)-3-methoxy-7-(pyridine-2-carbonyl)-17-diazaspiro[3.5]nonane

SMILES

COC(C1)C(CC2)(CCN2C(c2ncccc2)=O)N1c1cccc(F)c1

InChI

InChI=1S/C20H22FN3O2/c1-26-18-14-24(16-6-4-5-15(21)13-16)20(18)8-11-23(12-9-20)19(25)17-7-2-3-10-22-17/h2-7,10,13,18H,8-9,11-12,14H2,1H3/t18-/m1/s1

InChI Key

LFCRTWQTYSOSDD-GOSISDBHSA-N

MDL Number (MFCD)

MFCD31994819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.079

Distribution Coefficient, logD

2.067

Water Solubility, LogSw

-2.40

Polar Surface Area

35.685

Acid Dissociation Constant (pKa)

26.54

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

S736-0248 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S736-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S736-0248?
Check Price and Availability of S736-0248, 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 S736-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S736-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S736-0248
  • 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 S736-0248 available by request