S671-0581 Screening compound: 4-({7-ethyl-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodecan-11-yl}sulfonyl)benzonitrile

S671-0581 Screening compound: 4-({7-ethyl-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodecan-11-yl}sulfonyl)benzonitrile
S671-0581 Screening compound: 4-({7-ethyl-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodecan-11-yl}sulfonyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S671-0581
4-({7-ethyl-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodecan-11-yl}sulfonyl)benzonitrile

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

S671-0581

Molecular Formula

C18H23N3O4S (C18 H23 N3 O4 S)

Compound Name

4-({7-ethyl-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodecan-11-yl}sulfonyl)benzonitrile

IUPAC name

4-({7-ethyl-8-oxo-3-oxa-711-diazaspiro[5.6]dodecan-11-yl}sulfonyl)benzonitrile

SMILES

CCN(C1(CCOCC1)CN(CC1)S(c(cc2)ccc2C#N)(=O)=O)C1=O

InChI

InChI=1S/C18H23N3O4S/c1-2-21-17(22)7-10-20(14-18(21)8-11-25-12-9-18)26(23,24)16-5-3-15(13-19)4-6-16/h3-6H,2,7-12,14H2,1H3

InChI Key

XJGFIECUHNLHBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32010529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.540

Distribution Coefficient, logD

1.540

Water Solubility, LogSw

-2.42

Polar Surface Area

73.100

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

S671-0581 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS MPO Library (28609 compounds)

Integrin Receptors Targeted library (1715 compounds)

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Kinases
  • Others
  • Nuclear receptors
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S671-0581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S671-0581?
Check Price and Availability of S671-0581, 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 S671-0581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S671-0581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S671-0581
  • 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 S671-0581 available by request