S736-0444 Screening compound: 3-methoxy-7-(3-methylbenzoyl)-1-(4-methylphenyl)-1,7-diazaspiro[3.5]nonane

S736-0444 Screening compound: 3-methoxy-7-(3-methylbenzoyl)-1-(4-methylphenyl)-1,7-diazaspiro[3.5]nonane
S736-0444 Screening compound: 3-methoxy-7-(3-methylbenzoyl)-1-(4-methylphenyl)-1,7-diazaspiro[3.5]nonane alternative view

Chemical Structure Depiction of ChemDiv screening compound S736-0444
3-methoxy-7-(3-methylbenzoyl)-1-(4-methylphenyl)-1,7-diazaspiro[3.5]nonane

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

S736-0444

Molecular Formula

C23H28N2O2 (C23 H28 N2 O2)

Compound Name

3-methoxy-7-(3-methylbenzoyl)-1-(4-methylphenyl)-1,7-diazaspiro[3.5]nonane

IUPAC name

3-methoxy-7-(3-methylbenzoyl)-1-(4-methylphenyl)-17-diazaspiro[3.5]nonane

SMILES

Cc(cc1)ccc1N(C1)C(CC2)(CCN2C(c2cc(C)ccc2)=O)C1OC

InChI

InChI=1S/C23H28N2O2/c1-17-7-9-20(10-8-17)25-16-21(27-3)23(25)11-13-24(14-12-23)22(26)19-6-4-5-18(2)15-19/h4-10,15,21H,11-14,16H2,1-3H3/t21-/m1/s1

InChI Key

XGVKLCCDAVOBNL-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD32227002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.511

Distribution Coefficient, logD

3.188

Water Solubility, LogSw

-3.53

Polar Surface Area

26.637

Acid Dissociation Constant (pKa)

26.54

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.48

S736-0444 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 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)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S736-0444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S736-0444?
Check Price and Availability of S736-0444, 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 S736-0444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S736-0444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S736-0444
  • 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 S736-0444 available by request