S736-0443 Screening compound: 3-methoxy-1-(4-methylphenyl)-7-(thiophene-2-carbonyl)-1,7-diazaspiro[3.5]nonane

S736-0443 Screening compound: 3-methoxy-1-(4-methylphenyl)-7-(thiophene-2-carbonyl)-1,7-diazaspiro[3.5]nonane
S736-0443 Screening compound: 3-methoxy-1-(4-methylphenyl)-7-(thiophene-2-carbonyl)-1,7-diazaspiro[3.5]nonane alternative view

Chemical Structure Depiction of ChemDiv screening compound S736-0443
3-methoxy-1-(4-methylphenyl)-7-(thiophene-2-carbonyl)-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

S736-0443

Molecular Formula

C20H24N2O2S (C20 H24 N2 O2 S)

Compound Name

3-methoxy-1-(4-methylphenyl)-7-(thiophene-2-carbonyl)-1,7-diazaspiro[3.5]nonane

IUPAC name

3-methoxy-1-(4-methylphenyl)-7-(thiophene-2-carbonyl)-17-diazaspiro[3.5]nonane

SMILES

Cc(cc1)ccc1N(C1)C(CC2)(CCN2C(c2cccs2)=O)C1OC

InChI

InChI=1S/C20H24N2O2S/c1-15-5-7-16(8-6-15)22-14-18(24-2)20(22)9-11-21(12-10-20)19(23)17-4-3-13-25-17/h3-8,13,18H,9-12,14H2,1-2H3/t18-/m1/s1

InChI Key

WBHOEVIYDPTQOI-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32010783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.49

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

3.360

Distribution Coefficient, logD

3.037

Water Solubility, LogSw

-3.43

Polar Surface Area

27.655

Acid Dissociation Constant (pKa)

26.54

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

S736-0443 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

KRAS-Targeted Library (16000 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:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • 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 S736-0443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S736-0443?
Check Price and Availability of S736-0443, 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 S736-0443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S736-0443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S736-0443
  • 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 S736-0443 available by request