S571-0465 Screening compound: N-{[1-(cyclopropylmethyl)-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl]methyl}-3-(3-methoxyphenyl)propanamide

S571-0465 Screening compound: N-{[1-(cyclopropylmethyl)-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl]methyl}-3-(3-methoxyphenyl)propanamide
S571-0465 Screening compound: N-{[1-(cyclopropylmethyl)-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl]methyl}-3-(3-methoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S571-0465
N-{[1-(cyclopropylmethyl)-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl]methyl}-3-(3-methoxyphenyl)propanamide

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

S571-0465

Molecular Formula

C23H30N2O3 (C23 H30 N2 O3)

Compound Name

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

IUPAC name

N-{[1-(cyclopropylmethyl)-2-oxo-1H2H3H4H4aH5H6H-cyclopenta[b]pyridin-4a-yl]methyl}-3-(3-methoxyphenyl)propanamide

SMILES

COc1cccc(CCC(NCC2(CCC(N3CC4CC4)=O)C3=CCC2)=O)c1

InChI

InChI=1S/C23H30N2O3/c1-28-19-5-2-4-17(14-19)9-10-21(26)24-16-23-12-3-6-20(23)25(15-18-7-8-18)22(27)11-13-23/h2,4-6,14,18H,3,7-13,15-16H2,1H3,(H,24,26)/t23-/m0/s1

InChI Key

YXUDYFLOTDKLAS-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD31992315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.844

Distribution Coefficient, logD

3.844

Water Solubility, LogSw

-4.07

Polar Surface Area

48.263

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.52

S571-0465 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with S571-0465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S571-0465?
Check Price and Availability of S571-0465, 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 S571-0465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S571-0465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S571-0465
  • 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 S571-0465 available by request