S570-0206 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methyl-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]acetamide

S570-0206 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methyl-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]acetamide
S570-0206 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methyl-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S570-0206
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methyl-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]acetamide

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

S570-0206

Molecular Formula

C18H25N3O3 (C18 H25 N3 O3)

Compound Name

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methyl-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]acetamide

IUPAC name

2-(35-dimethyl-12-oxazol-4-yl)-N-[(1-methyl-2-oxo-12344a567-octahydroquinolin-4a-yl)methyl]acetamide

SMILES

Cc1noc(C)c1CC(NCC1(CCC(N2C)=O)C2=CCCC1)=O

InChI

InChI=1S/C18H25N3O3/c1-12-14(13(2)24-20-12)10-16(22)19-11-18-8-5-4-6-15(18)21(3)17(23)7-9-18/h6H,4-5,7-11H2,1-3H3,(H,19,22)/t18-/m0/s1

InChI Key

NDUNOYJFIQJQMZ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31982778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.706

Distribution Coefficient, logD

1.706

Water Solubility, LogSw

-2.03

Polar Surface Area

61.905

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

S570-0206 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S570-0206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S570-0206?
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What is the minimum amount of S570-0206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S570-0206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S570-0206
  • 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 S570-0206 available by request