S968-0587 Screening compound: N-(6-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-6-azaspiro[2.5]octan-1-yl)methanesulfonamide

S968-0587 Screening compound: N-(6-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-6-azaspiro[2.5]octan-1-yl)methanesulfonamide
S968-0587 Screening compound: N-(6-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-6-azaspiro[2.5]octan-1-yl)methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S968-0587
N-(6-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-6-azaspiro[2.5]octan-1-yl)methanesulfonamide

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

S968-0587

Molecular Formula

C19H25N3O5S (C19 H25 N3 O5 S)

Compound Name

N-(6-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-6-azaspiro[2.5]octan-1-yl)methanesulfonamide

IUPAC name

N-(6-{5-[(35-dimethyl-12-oxazol-4-yl)methyl]furan-2-carbonyl}-6-azaspiro[2.5]octan-1-yl)methanesulfonamide

SMILES

Cc1noc(C)c1Cc1ccc(C(N(CC2)CCC2(C2)C2NS(C)(=O)=O)=O)o1

InChI

InChI=1S/C19H25N3O5S/c1-12-15(13(2)27-20-12)10-14-4-5-16(26-14)18(23)22-8-6-19(7-9-22)11-17(19)21-28(3,24)25/h4-5,17,21H,6-11H2,1-3H3/t17-/m0/s1

InChI Key

ATNUGECAMJTEGZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32231681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.287

Distribution Coefficient, logD

1.287

Water Solubility, LogSw

-2.29

Polar Surface Area

89.859

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

S968-0587 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with S968-0587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S968-0587?
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What is the minimum amount of S968-0587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S968-0587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S968-0587
  • 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 S968-0587 available by request