S247-0075 Screening compound: 2-(isoquinoline-1-carbonyl)-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane

S247-0075 Screening compound: 2-(isoquinoline-1-carbonyl)-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane
S247-0075 Screening compound: 2-(isoquinoline-1-carbonyl)-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound S247-0075
2-(isoquinoline-1-carbonyl)-4-(methoxymethyl)-8-oxa-2-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

S247-0075

Molecular Formula

C20H24N2O3 (C20 H24 N2 O3)

Compound Name

2-(isoquinoline-1-carbonyl)-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane

IUPAC name

2-(isoquinoline-1-carbonyl)-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane

SMILES

COCC(CN(C1)C(c2nccc3ccccc23)=O)C11CCOCC1

InChI

InChI=1S/C20H24N2O3/c1-24-13-16-12-22(14-20(16)7-10-25-11-8-20)19(23)18-17-5-3-2-4-15(17)6-9-21-18/h2-6,9,16H,7-8,10-14H2,1H3/t16-/m0/s1

InChI Key

CSUJHXFEHQAUGS-INIZCTEOSA-N

MDL Number (MFCD)

MFCD28996126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.052

Distribution Coefficient, logD

2.052

Water Solubility, LogSw

-2.51

Polar Surface Area

42.919

Acid Dissociation Constant (pKa)

28.05

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S247-0075 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 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)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S247-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S247-0075?
Check Price and Availability of S247-0075, 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 S247-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S247-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S247-0075
  • 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 S247-0075 available by request