S571-0415 Screening compound: N-{[1-(cyclopropylmethyl)-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl]methyl}-2-(2-fluorophenyl)acetamide

S571-0415 Screening compound: N-{[1-(cyclopropylmethyl)-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl]methyl}-2-(2-fluorophenyl)acetamide
S571-0415 Screening compound: N-{[1-(cyclopropylmethyl)-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl]methyl}-2-(2-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S571-0415
N-{[1-(cyclopropylmethyl)-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl]methyl}-2-(2-fluorophenyl)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

S571-0415

Molecular Formula

C21H25FN2O2 (C21 H25 FN2 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(Cc(cccc1)c1F)NCC1(CCC(N2CC3CC3)=O)C2=CCC1

InChI

InChI=1S/C21H25FN2O2/c22-17-5-2-1-4-16(17)12-19(25)23-14-21-10-3-6-18(21)24(13-15-7-8-15)20(26)9-11-21/h1-2,4-6,15H,3,7-14H2,(H,23,25)/t21-/m0/s1

InChI Key

XPXHRILVPNCSHZ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD31989619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.699

Distribution Coefficient, logD

3.699

Water Solubility, LogSw

-3.99

Polar Surface Area

40.719

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

S571-0415 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S571-0415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S571-0415?
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What is the minimum amount of S571-0415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S571-0415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S571-0415
  • 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 S571-0415 available by request