S570-0085 Screening compound: 2-(2-fluorophenyl)-N-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]acetamide

S570-0085 Screening compound: 2-(2-fluorophenyl)-N-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]acetamide
S570-0085 Screening compound: 2-(2-fluorophenyl)-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 S570-0085
2-(2-fluorophenyl)-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

S570-0085

Molecular Formula

C18H21FN2O2 (C18 H21 FN2 O2)

Compound Name

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

IUPAC name

2-(2-fluorophenyl)-N-[(2-oxo-12344a567-octahydroquinolin-4a-yl)methyl]acetamide

SMILES

O=C(Cc(cccc1)c1F)NCC1(CCC(N2)=O)C2=CCCC1

InChI

InChI=1S/C18H21FN2O2/c19-14-6-2-1-5-13(14)11-17(23)20-12-18-9-4-3-7-15(18)21-16(22)8-10-18/h1-2,5-7H,3-4,8-12H2,(H,20,23)(H,21,22)/t18-/m0/s1

InChI Key

OEYJHXANGCKRCT-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31960961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.715

Distribution Coefficient, logD

2.714

Water Solubility, LogSw

-2.94

Polar Surface Area

49.592

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

S570-0085 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S570-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S570-0085?
Check Price and Availability of S570-0085, 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 S570-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S570-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S570-0085
  • 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 S570-0085 available by request