S736-0236 Screening compound: 7-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane

S736-0236 Screening compound: 7-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane
S736-0236 Screening compound: 7-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane alternative view

Chemical Structure Depiction of ChemDiv screening compound S736-0236
7-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(3-fluorophenyl)-3-methoxy-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

S736-0236

Molecular Formula

C20H24FN3O2S (C20 H24 FN3 O2 S)

Compound Name

7-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane

IUPAC name

7-(24-dimethyl-13-thiazole-5-carbonyl)-1-(3-fluorophenyl)-3-methoxy-17-diazaspiro[3.5]nonane

SMILES

Cc1c(C(N(CC2)CCC2(C(C2)OC)N2c2cc(F)ccc2)=O)sc(C)n1

InChI

InChI=1S/C20H24FN3O2S/c1-13-18(27-14(2)22-13)19(25)23-9-7-20(8-10-23)17(26-3)12-24(20)16-6-4-5-15(21)11-16/h4-6,11,17H,7-10,12H2,1-3H3/t17-/m1/s1

InChI Key

LIYQYWWCYXWOCC-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD29016198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.875

Distribution Coefficient, logD

2.863

Water Solubility, LogSw

-3.18

Polar Surface Area

37.026

Acid Dissociation Constant (pKa)

26.54

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S736-0236 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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:
  • Antiviral
  • Infections
  • Immune system
  • 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 S736-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S736-0236?
Check Price and Availability of S736-0236, 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 S736-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S736-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S736-0236
  • 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 S736-0236 available by request