S736-0205 Screening compound: 7-(2,4-dimethoxybenzoyl)-1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane

S736-0205 Screening compound: 7-(2,4-dimethoxybenzoyl)-1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane
S736-0205 Screening compound: 7-(2,4-dimethoxybenzoyl)-1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane alternative view

Chemical Structure Depiction of ChemDiv screening compound S736-0205
7-(2,4-dimethoxybenzoyl)-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

S736-0205

Molecular Formula

C23H27FN2O4 (C23 H27 FN2 O4)

Compound Name

7-(2,4-dimethoxybenzoyl)-1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane

IUPAC name

7-(24-dimethoxybenzoyl)-1-(3-fluorophenyl)-3-methoxy-17-diazaspiro[3.5]nonane

SMILES

COC(C1)C(CC2)(CCN2C(c(ccc(OC)c2)c2OC)=O)N1c1cccc(F)c1

InChI

InChI=1S/C23H27FN2O4/c1-28-18-7-8-19(20(14-18)29-2)22(27)25-11-9-23(10-12-25)21(30-3)15-26(23)17-6-4-5-16(24)13-17/h4-8,13-14,21H,9-12,15H2,1-3H3/t21-/m1/s1

InChI Key

WHBZUASIRIAQKJ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD30467802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.933

Distribution Coefficient, logD

2.921

Water Solubility, LogSw

-3.28

Polar Surface Area

41.811

Acid Dissociation Constant (pKa)

26.54

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.48

S736-0205 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
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 S736-0205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S736-0205?
Check Price and Availability of S736-0205, 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 S736-0205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S736-0205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S736-0205
  • 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 S736-0205 available by request