SA63-0554 Screening compound: {4-[2-(dimethylamino)ethyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}(morpholino)methanone

SA63-0554 Screening compound: {4-[2-(dimethylamino)ethyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}(morpholino)methanone
SA63-0554 Screening compound: {4-[2-(dimethylamino)ethyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}(morpholino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SA63-0554
{4-[2-(dimethylamino)ethyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}(morpholino)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

SA63-0554

Molecular Formula

C18H33N3O3 (C18 H33 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CN(C)CCC1CC(CC2)(CCN2C(N2CCOCC2)=O)OCC1

InChI

InChI=1S/C18H33N3O3/c1-19(2)7-3-16-4-12-24-18(15-16)5-8-20(9-6-18)17(22)21-10-13-23-14-11-21/h16H,3-15H2,1-2H3/t16-/m1/s1

InChI Key

CIIQBMXCWIHLQA-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32238471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.375

Distribution Coefficient, logD

-0.523

Water Solubility, LogSw

-1.27

Polar Surface Area

37.069

Acid Dissociation Constant (pKa)

27.32

Base Dissociation Constant (pKb)

9.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

94.44

SA63-0554 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA63-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA63-0554?
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What is the minimum amount of SA63-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA63-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA63-0554
  • 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 SA63-0554 available by request