S651-0731 Screening compound: {8-[(3-METHOXYPHENYL)SULFONYL]-2-METHYL-2,8-DIAZASPIRO[4.5]DEC-3-YL}(MORPHOLINO)METHANONE

S651-0731 Screening compound: {8-[(3-METHOXYPHENYL)SULFONYL]-2-METHYL-2,8-DIAZASPIRO[4.5]DEC-3-YL}(MORPHOLINO)METHANONE
S651-0731 Screening compound: {8-[(3-METHOXYPHENYL)SULFONYL]-2-METHYL-2,8-DIAZASPIRO[4.5]DEC-3-YL}(MORPHOLINO)METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S651-0731
{8-[(3-METHOXYPHENYL)SULFONYL]-2-METHYL-2,8-DIAZASPIRO[4.5]DEC-3-YL}(MORPHOLINO)METHANONE

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

S651-0731

Molecular Formula

C21H31N3O5S (C21 H31 N3 O5 S)

Compound Name

{8-[(3-METHOXYPHENYL)SULFONYL]-2-METHYL-2,8-DIAZASPIRO[4.5]DEC-3-YL}(MORPHOLINO)METHANONE

IUPAC name

n/a

SMILES

CN(CC(C1)(CC2)CCN2S(c2cc(OC)ccc2)(=O)=O)C1C(N1CCOCC1)=O

InChI

InChI=1S/C21H31N3O5S/c1-22-16-21(15-19(22)20(25)23-10-12-29-13-11-23)6-8-24(9-7-21)30(26,27)18-5-3-4-17(14-18)28-2/h3-5,14,19H,6-13,15-16H2,1-2H3/t19-/m1/s1

InChI Key

NKPBFFMSSCKWOI-LJQANCHMSA-N

MDL Number (MFCD)

MFCD29015835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.992

Distribution Coefficient, logD

0.720

Water Solubility, LogSw

-2.41

Polar Surface Area

67.657

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

7.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

S651-0731 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 S651-0731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S651-0731?
Check Price and Availability of S651-0731, 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 S651-0731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S651-0731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S651-0731
  • 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 S651-0731 available by request