S567-0100 Screening compound: 9-[(dimethylamino)methyl]-3-[(4-fluorophenyl)sulfonyl]-3-azaspiro[5.5]undecan-9-ol

S567-0100 Screening compound: 9-[(dimethylamino)methyl]-3-[(4-fluorophenyl)sulfonyl]-3-azaspiro[5.5]undecan-9-ol
S567-0100 Screening compound: 9-[(dimethylamino)methyl]-3-[(4-fluorophenyl)sulfonyl]-3-azaspiro[5.5]undecan-9-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S567-0100
9-[(dimethylamino)methyl]-3-[(4-fluorophenyl)sulfonyl]-3-azaspiro[5.5]undecan-9-ol

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

S567-0100

Molecular Formula

C19H29FN2O3S (C19 H29 FN2 O3 S)

Compound Name

9-[(dimethylamino)methyl]-3-[(4-fluorophenyl)sulfonyl]-3-azaspiro[5.5]undecan-9-ol

IUPAC name

n/a

SMILES

CN(C)CC(CC1)(CCC1(CC1)CCN1S(c(cc1)ccc1F)(=O)=O)O

InChI

InChI=1S/C19H29FN2O3S/c1-21(2)15-19(23)9-7-18(8-10-19)11-13-22(14-12-18)26(24,25)17-5-3-16(20)4-6-17/h3-6,23H,7-15H2,1-2H3

InChI Key

VNKXWSPZANCGHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29014823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.013

Distribution Coefficient, logD

0.775

Water Solubility, LogSw

-2.42

Polar Surface Area

51.330

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

8.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.40

S567-0100 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 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)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S567-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S567-0100?
Check Price and Availability of S567-0100, 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 S567-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S567-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S567-0100
  • 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 S567-0100 available by request