CM3542-7293 Screening compound: N-methyl{8-[(3-methyl-2-thienyl)methyl]-1-oxa-8-azaspiro[4.5]dec-2-yl}-N-(4-pyridylmethyl)methanamine

CM3542-7293 Screening compound: N-methyl{8-[(3-methyl-2-thienyl)methyl]-1-oxa-8-azaspiro[4.5]dec-2-yl}-N-(4-pyridylmethyl)methanamine
CM3542-7293 Screening compound: N-methyl{8-[(3-methyl-2-thienyl)methyl]-1-oxa-8-azaspiro[4.5]dec-2-yl}-N-(4-pyridylmethyl)methanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound CM3542-7293
N-methyl{8-[(3-methyl-2-thienyl)methyl]-1-oxa-8-azaspiro[4.5]dec-2-yl}-N-(4-pyridylmethyl)methanamine

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

CM3542-7293

Molecular Formula

C22H31N3OS (C22 H31 N3 OS)

Compound Name

N-methyl{8-[(3-methyl-2-thienyl)methyl]-1-oxa-8-azaspiro[4.5]dec-2-yl}-N-(4-pyridylmethyl)methanamine

IUPAC name

methyl({8-[(3-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl}methyl)[(pyridin-4-yl)methyl]amine

SMILES

Cc1c(CN(CC2)CCC22OC(CN(C)Cc3ccncc3)CC2)scc1

InChI

InChI=1S/C22H31N3OS/c1-18-6-14-27-21(18)17-25-12-8-22(9-13-25)7-3-20(26-22)16-24(2)15-19-4-10-23-11-5-19/h4-6,10-11,14,20H,3,7-9,12-13,15-17H2,1-2H3/t20-/m0/s1

InChI Key

OIRJXVDTOGHTKH-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD30467228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.843

Distribution Coefficient, logD

2.331

Water Solubility, LogSw

-2.73

Polar Surface Area

24.588

Acid Dissociation Constant (pKa)

26.09

Base Dissociation Constant (pKb)

7.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

CM3542-7293 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with CM3542-7293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM3542-7293?
Check Price and Availability of CM3542-7293, 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 CM3542-7293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM3542-7293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM3542-7293
  • 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 CM3542-7293 available by request