CM3542-2094 Screening compound: 2-(MORPHOLINOMETHYL)-8-(3-THIENYLMETHYL)-1-OXA-8-AZASPIRO[4.5]DECANE

CM3542-2094 Screening compound: 2-(MORPHOLINOMETHYL)-8-(3-THIENYLMETHYL)-1-OXA-8-AZASPIRO[4.5]DECANE
CM3542-2094 Screening compound: 2-(MORPHOLINOMETHYL)-8-(3-THIENYLMETHYL)-1-OXA-8-AZASPIRO[4.5]DECANE alternative view

Chemical Structure Depiction of ChemDiv screening compound CM3542-2094
2-(MORPHOLINOMETHYL)-8-(3-THIENYLMETHYL)-1-OXA-8-AZASPIRO[4.5]DECANE

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

CM3542-2094

Molecular Formula

C18H28N2O2S (C18 H28 N2 O2 S)

Compound Name

2-(MORPHOLINOMETHYL)-8-(3-THIENYLMETHYL)-1-OXA-8-AZASPIRO[4.5]DECANE

IUPAC name

2-[(morpholin-4-yl)methyl]-8-[(thiophen-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decane

SMILES

C(C(CC1)OC11CCN(Cc2cscc2)CC1)N1CCOCC1

InChI

InChI=1S/C18H28N2O2S/c1-3-18(22-17(1)14-20-8-10-21-11-9-20)4-6-19(7-5-18)13-16-2-12-23-15-16/h2,12,15,17H,1,3-11,13-14H2/t17-/m0/s1

InChI Key

LAGYPWALNVEKQZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD30467200

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

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.915

Distribution Coefficient, logD

0.239

Water Solubility, LogSw

-2.20

Polar Surface Area

22.957

Acid Dissociation Constant (pKa)

26.70

Base Dissociation Constant (pKb)

9.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

77.78

CM3542-2094 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Neurotransmitter Transporter Inhibitors Library (11024 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)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with CM3542-2094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM3542-2094?
Check Price and Availability of CM3542-2094, 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 CM3542-2094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM3542-2094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM3542-2094
  • 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 CM3542-2094 available by request