S233-1705 Screening compound: N-{[1-(cyclohexylmethyl)-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl}-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide

S233-1705 Screening compound: N-{[1-(cyclohexylmethyl)-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl}-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide
S233-1705 Screening compound: N-{[1-(cyclohexylmethyl)-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl}-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S233-1705
N-{[1-(cyclohexylmethyl)-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl}-2-(3,5-dimethyl-1H-pyrazol-1-yl)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

S233-1705

Molecular Formula

C23H36N4O2 (C23 H36 N4 O2)

Compound Name

N-{[1-(cyclohexylmethyl)-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl}-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide

IUPAC name

N-{[(4aS7aR)-1-(cyclohexylmethyl)-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl}-2-(35-dimethyl-1H-pyrazol-1-yl)acetamide

SMILES

Cc1cc(C)nn1CC(NC[C@](CCC1)(CC2)[C@@H]1N(CC1CCCCC1)C2=O)=O

InChI

InChI=1S/C23H36N4O2/c1-17-13-18(2)27(25-17)15-21(28)24-16-23-11-6-9-20(23)26(22(29)10-12-23)14-19-7-4-3-5-8-19/h13,19-20H,3-12,14-16H2,1-2H3,(H,24,28)/t20-,23+/m1/s1

InChI Key

YXABKKOGWLWMCS-OFNKIYASSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.758

Distribution Coefficient, logD

2.758

Water Solubility, LogSw

-2.99

Polar Surface Area

54.929

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

6.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

78.30

S233-1705 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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

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 S233-1705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S233-1705?
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What is the minimum amount of S233-1705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S233-1705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S233-1705
  • 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 S233-1705 available by request