S571-0329 Screening compound: N~4~-[(1-methyl-2-oxo-1,2,3,4,5,6-hexahydro-4aH-cyclopenta[b]pyridin-4-yl)methyl]tetrahydro-2H-pyran-4-carboxamide

S571-0329 Screening compound: N~4~-[(1-methyl-2-oxo-1,2,3,4,5,6-hexahydro-4aH-cyclopenta[b]pyridin-4-yl)methyl]tetrahydro-2H-pyran-4-carboxamide
S571-0329 Screening compound: N~4~-[(1-methyl-2-oxo-1,2,3,4,5,6-hexahydro-4aH-cyclopenta[b]pyridin-4-yl)methyl]tetrahydro-2H-pyran-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S571-0329
N~4~-[(1-methyl-2-oxo-1,2,3,4,5,6-hexahydro-4aH-cyclopenta[b]pyridin-4-yl)methyl]tetrahydro-2H-pyran-4-carboxamide

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

S571-0329

Molecular Formula

C16H24N2O3 (C16 H24 N2 O3)

Compound Name

N~4~-[(1-methyl-2-oxo-1,2,3,4,5,6-hexahydro-4aH-cyclopenta[b]pyridin-4-yl)methyl]tetrahydro-2H-pyran-4-carboxamide

IUPAC name

n/a

SMILES

CN(C1=CCCC1(CNC(C1CCOCC1)=O)CC1)C1=O

InChI

InChI=1S/C16H24N2O3/c1-18-13-3-2-7-16(13,8-4-14(18)19)11-17-15(20)12-5-9-21-10-6-12/h3,12H,2,4-11H2,1H3,(H,17,20)/t16-/m0/s1

InChI Key

QNYUGODFENGCQK-INIZCTEOSA-N

MDL Number (MFCD)

MFCD30462911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.863

Distribution Coefficient, logD

0.863

Water Solubility, LogSw

-1.16

Polar Surface Area

48.547

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

S571-0329 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S571-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S571-0329?
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What is the minimum amount of S571-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S571-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S571-0329
  • 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 S571-0329 available by request