S233-1123 Screening compound: N-{[(7AR)-1-ETHYL-2-OXOOCTAHYDRO-4AH-CYCLOPENTA[B]PYRIDIN-4-YL]METHYL}-2-(3-FLUOROPHENYL)-N-METHYLACETAMIDE

S233-1123 Screening compound: N-{[(7AR)-1-ETHYL-2-OXOOCTAHYDRO-4AH-CYCLOPENTA[B]PYRIDIN-4-YL]METHYL}-2-(3-FLUOROPHENYL)-N-METHYLACETAMIDE
S233-1123 Screening compound: N-{[(7AR)-1-ETHYL-2-OXOOCTAHYDRO-4AH-CYCLOPENTA[B]PYRIDIN-4-YL]METHYL}-2-(3-FLUOROPHENYL)-N-METHYLACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S233-1123
N-{[(7AR)-1-ETHYL-2-OXOOCTAHYDRO-4AH-CYCLOPENTA[B]PYRIDIN-4-YL]METHYL}-2-(3-FLUOROPHENYL)-N-METHYLACETAMIDE

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

S233-1123

Molecular Formula

C20H27FN2O2 (C20 H27 FN2 O2)

Compound Name

N-{[(7AR)-1-ETHYL-2-OXOOCTAHYDRO-4AH-CYCLOPENTA[B]PYRIDIN-4-YL]METHYL}-2-(3-FLUOROPHENYL)-N-METHYLACETAMIDE

IUPAC name

n/a

SMILES

CCN([C@H](CCC1)[C@]1(CN(C)C(Cc1cccc(F)c1)=O)CC1)C1=O

InChI

InChI=1S/C20H27FN2O2/c1-3-23-17-8-5-10-20(17,11-9-18(23)24)14-22(2)19(25)13-15-6-4-7-16(21)12-15/h4,6-7,12,17H,3,5,8-11,13-14H2,1-2H3/t17-,20+/m1/s1

InChI Key

ROHSPTMIRVOWMW-XLIONFOSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.625

Distribution Coefficient, logD

2.625

Water Solubility, LogSw

-2.62

Polar Surface Area

32.150

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

S233-1123 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with S233-1123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S233-1123?
Check Price and Availability of S233-1123, 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 S233-1123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S233-1123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S233-1123
  • 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 S233-1123 available by request