S570-0040 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]acetamide

S570-0040 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]acetamide
S570-0040 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S570-0040
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(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

S570-0040

Molecular Formula

C17H23N3O3 (C17 H23 N3 O3)

Compound Name

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(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-[(2-oxo-12344a567-octahydroquinolin-4a-yl)methyl]acetamide

SMILES

Cc1noc(C)c1CC(NCC1(CCC(N2)=O)C2=CCCC1)=O

InChI

InChI=1S/C17H23N3O3/c1-11-13(12(2)23-20-11)9-16(22)18-10-17-7-4-3-5-14(17)19-15(21)6-8-17/h5H,3-4,6-10H2,1-2H3,(H,18,22)(H,19,21)/t17-/m0/s1

InChI Key

MURYJODLVCBYTP-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32010667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.590

Distribution Coefficient, logD

1.590

Water Solubility, LogSw

-1.91

Polar Surface Area

71.631

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

S570-0040 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 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

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S570-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S570-0040?
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What is the minimum amount of S570-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S570-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S570-0040
  • 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 S570-0040 available by request