S233-2128 Screening compound: N'-{[(7aR)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4-yl]methyl}-N,N-dimethylsulfamide

S233-2128 Screening compound: N'-{[(7aR)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4-yl]methyl}-N,N-dimethylsulfamide
S233-2128 Screening compound: N'-{[(7aR)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4-yl]methyl}-N,N-dimethylsulfamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S233-2128
N'-{[(7aR)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4-yl]methyl}-N,N-dimethylsulfamide

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

S233-2128

Molecular Formula

C18H27N3O3S (C18 H27 N3 O3 S)

Compound Name

N'-{[(7aR)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4-yl]methyl}-N,N-dimethylsulfamide

IUPAC name

(4aS7aR)-1-benzyl-4a-{[(dimethylsulfamoyl)amino]methyl}-octahydro-1H-cyclopenta[b]pyridin-2-one

SMILES

CN(C)S(NC[C@](CCC1)(CC2)[C@@H]1N(Cc1ccccc1)C2=O)(=O)=O

InChI

InChI=1S/C18H27N3O3S/c1-20(2)25(23,24)19-14-18-11-6-9-16(18)21(17(22)10-12-18)13-15-7-4-3-5-8-15/h3-5,7-8,16,19H,6,9-14H2,1-2H3/t16-,18+/m1/s1

InChI Key

ADTDWGVDUKWCKZ-AEFFLSMTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.670

Distribution Coefficient, logD

1.670

Water Solubility, LogSw

-2.45

Polar Surface Area

62.981

Acid Dissociation Constant (pKa)

12.42

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.11

S233-2128 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

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

Therapeutical areas:
  • Nervous system
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 S233-2128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S233-2128?
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What is the minimum amount of S233-2128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S233-2128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S233-2128
  • 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 S233-2128 available by request