S571-0281 Screening compound: 2-fluoro-N-({1-methyl-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)benzamide

S571-0281 Screening compound: 2-fluoro-N-({1-methyl-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)benzamide
S571-0281 Screening compound: 2-fluoro-N-({1-methyl-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S571-0281
2-fluoro-N-({1-methyl-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)benzamide

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

S571-0281

Molecular Formula

C17H19FN2O2 (C17 H19 FN2 O2)

Compound Name

2-fluoro-N-({1-methyl-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)benzamide

IUPAC name

2-fluoro-N-({1-methyl-2-oxo-1H2H3H4H4aH5H6H-cyclopenta[b]pyridin-4a-yl}methyl)benzamide

SMILES

CN(C1=CCCC1(CNC(c(cccc1)c1F)=O)CC1)C1=O

InChI

InChI=1S/C17H19FN2O2/c1-20-14-7-4-9-17(14,10-8-15(20)21)11-19-16(22)12-5-2-3-6-13(12)18/h2-3,5-7H,4,8-11H2,1H3,(H,19,22)/t17-/m0/s1

InChI Key

YCSHSNCVIXRXAE-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31990587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.363

Distribution Coefficient, logD

2.363

Water Solubility, LogSw

-2.91

Polar Surface Area

40.446

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.18

S571-0281 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S571-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S571-0281?
Check Price and Availability of S571-0281, 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 S571-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S571-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S571-0281
  • 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 S571-0281 available by request