S423-1018 Screening compound: 9-(2,3-DIHYDRO-1-BENZOFURAN-5-YLMETHYL)-1-OXA-9-AZASPIRO[5.5]UNDECAN-4-OL

S423-1018 Screening compound: 9-(2,3-DIHYDRO-1-BENZOFURAN-5-YLMETHYL)-1-OXA-9-AZASPIRO[5.5]UNDECAN-4-OL
S423-1018 Screening compound: 9-(2,3-DIHYDRO-1-BENZOFURAN-5-YLMETHYL)-1-OXA-9-AZASPIRO[5.5]UNDECAN-4-OL alternative view

Chemical Structure Depiction of ChemDiv screening compound S423-1018
9-(2,3-DIHYDRO-1-BENZOFURAN-5-YLMETHYL)-1-OXA-9-AZASPIRO[5.5]UNDECAN-4-OL

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

S423-1018

Molecular Formula

C18H25NO3 (C18 H25 NO3)

Compound Name

9-(2,3-DIHYDRO-1-BENZOFURAN-5-YLMETHYL)-1-OXA-9-AZASPIRO[5.5]UNDECAN-4-OL

IUPAC name

n/a

SMILES

OC1CC2(CCN(Cc(cc3)cc4c3OCC4)CC2)OCC1

InChI

InChI=1S/C18H25NO3/c20-16-4-10-22-18(12-16)5-7-19(8-6-18)13-14-1-2-17-15(11-14)3-9-21-17/h1-2,11,16,20H,3-10,12-13H2/t16-/m1/s1

InChI Key

SAYINHFSXJPNNK-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD30460241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.984

Distribution Coefficient, logD

0.177

Water Solubility, LogSw

-2.27

Polar Surface Area

34.533

Acid Dissociation Constant (pKa)

16.77

Base Dissociation Constant (pKb)

9.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

S423-1018 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S423-1018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S423-1018?
Check Price and Availability of S423-1018, 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 S423-1018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S423-1018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S423-1018
  • 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 S423-1018 available by request