S571-0085 Screening compound: 2-(2-fluorophenyl)-N-({2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)acetamide

S571-0085 Screening compound: 2-(2-fluorophenyl)-N-({2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)acetamide
S571-0085 Screening compound: 2-(2-fluorophenyl)-N-({2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S571-0085
2-(2-fluorophenyl)-N-({2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-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

S571-0085

Molecular Formula

C17H19FN2O2 (C17 H19 FN2 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(Cc(cccc1)c1F)NCC1(CCC(N2)=O)C2=CCC1

InChI

InChI=1S/C17H19FN2O2/c18-13-5-2-1-4-12(13)10-16(22)19-11-17-8-3-6-14(17)20-15(21)7-9-17/h1-2,4-6H,3,7-11H2,(H,19,22)(H,20,21)/t17-/m0/s1

InChI Key

VAKVZTZHLVVRKZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31980428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.35

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

2.231

Distribution Coefficient, logD

2.231

Water Solubility, LogSw

-2.66

Polar Surface Area

49.958

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.18

S571-0085 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S571-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S571-0085?
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What is the minimum amount of S571-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S571-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S571-0085
  • 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 S571-0085 available by request