SA63-0628 Screening compound: {4-[2-(dimethylamino)ethyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}(3-fluoro-2-pyridyl)methanone

SA63-0628 Screening compound: {4-[2-(dimethylamino)ethyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}(3-fluoro-2-pyridyl)methanone
SA63-0628 Screening compound: {4-[2-(dimethylamino)ethyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}(3-fluoro-2-pyridyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SA63-0628
{4-[2-(dimethylamino)ethyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}(3-fluoro-2-pyridyl)methanone

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

SA63-0628

Molecular Formula

C19H28FN3O2 (C19 H28 FN3 O2)

Compound Name

{4-[2-(dimethylamino)ethyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}(3-fluoro-2-pyridyl)methanone

IUPAC name

{2-[9-(3-fluoropyridine-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethyl}dimethylamine

SMILES

CN(C)CCC1CC(CC2)(CCN2C(c(nccc2)c2F)=O)OCC1

InChI

InChI=1S/C19H28FN3O2/c1-22(2)10-5-15-6-13-25-19(14-15)7-11-23(12-8-19)18(24)17-16(20)4-3-9-21-17/h3-4,9,15H,5-8,10-14H2,1-2H3/t15-/m1/s1

InChI Key

LUVJXPMIJYNFPK-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32238562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.752

Distribution Coefficient, logD

-0.146

Water Solubility, LogSw

-1.70

Polar Surface Area

37.173

Acid Dissociation Constant (pKa)

27.32

Base Dissociation Constant (pKb)

9.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.42

SA63-0628 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with SA63-0628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA63-0628?
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What is the minimum amount of SA63-0628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA63-0628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA63-0628
  • 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 SA63-0628 available by request