S736-0339 Screening compound: 7-(CYCLOHEXYLMETHYL)-1-(3-FLUOROPHENYL)-1,7-DIAZASPIRO[3.5]NON-3-YL METHYL ETHER

S736-0339 Screening compound: 7-(CYCLOHEXYLMETHYL)-1-(3-FLUOROPHENYL)-1,7-DIAZASPIRO[3.5]NON-3-YL METHYL ETHER
S736-0339 Screening compound: 7-(CYCLOHEXYLMETHYL)-1-(3-FLUOROPHENYL)-1,7-DIAZASPIRO[3.5]NON-3-YL METHYL ETHER alternative view

Chemical Structure Depiction of ChemDiv screening compound S736-0339
7-(CYCLOHEXYLMETHYL)-1-(3-FLUOROPHENYL)-1,7-DIAZASPIRO[3.5]NON-3-YL METHYL ETHER

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

S736-0339

Molecular Formula

C21H31FN2O (C21 H31 FN2 O)

Compound Name

7-(CYCLOHEXYLMETHYL)-1-(3-FLUOROPHENYL)-1,7-DIAZASPIRO[3.5]NON-3-YL METHYL ETHER

IUPAC name

7-(cyclohexylmethyl)-1-(3-fluorophenyl)-3-methoxy-17-diazaspiro[3.5]nonane

SMILES

COC(C1)C2(CCN(CC3CCCCC3)CC2)N1c1cccc(F)c1

InChI

InChI=1S/C21H31FN2O/c1-25-20-16-24(19-9-5-8-18(22)14-19)21(20)10-12-23(13-11-21)15-17-6-3-2-4-7-17/h5,8-9,14,17,20H,2-4,6-7,10-13,15-16H2,1H3/t20-/m1/s1

InChI Key

TXHULRRLMXCWLY-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD29016201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.49

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.425

Distribution Coefficient, logD

4.106

Water Solubility, LogSw

-4.30

Polar Surface Area

13.913

Acid Dissociation Constant (pKa)

26.06

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.43

S736-0339 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 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)

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
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S736-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S736-0339?
Check Price and Availability of S736-0339, 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 S736-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S736-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S736-0339
  • 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 S736-0339 available by request