SA63-0604 Screening compound: {4-[2-(dimethylamino)ethyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}(3-thienyl)methanone

SA63-0604 Screening compound: {4-[2-(dimethylamino)ethyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}(3-thienyl)methanone
SA63-0604 Screening compound: {4-[2-(dimethylamino)ethyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}(3-thienyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SA63-0604
{4-[2-(dimethylamino)ethyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}(3-thienyl)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

SA63-0604

Molecular Formula

C18H28N2O2S (C18 H28 N2 O2 S)

Compound Name

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

IUPAC name

dimethyl({2-[9-(thiophene-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethyl})amine

SMILES

CN(C)CCC1CC(CC2)(CCN2C(c2cscc2)=O)OCC1

InChI

InChI=1S/C18H28N2O2S/c1-19(2)8-3-15-4-11-22-18(13-15)6-9-20(10-7-18)17(21)16-5-12-23-14-16/h5,12,14-15H,3-4,6-11,13H2,1-2H3/t15-/m1/s1

InChI Key

RJPDVWDURORVLJ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32238518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.277

Distribution Coefficient, logD

0.379

Water Solubility, LogSw

-2.52

Polar Surface Area

28.373

Acid Dissociation Constant (pKa)

27.32

Base Dissociation Constant (pKb)

9.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.22

SA63-0604 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 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
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SA63-0604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA63-0604?
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What is the minimum amount of SA63-0604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA63-0604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA63-0604
  • 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 SA63-0604 available by request