S233-0049 Screening compound: N~1~-{[(7aR)-1-methyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4-yl]methyl}-2-chloro-4-fluorobenzamide

S233-0049 Screening compound: N~1~-{[(7aR)-1-methyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4-yl]methyl}-2-chloro-4-fluorobenzamide
S233-0049 Screening compound: N~1~-{[(7aR)-1-methyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4-yl]methyl}-2-chloro-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S233-0049
N~1~-{[(7aR)-1-methyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4-yl]methyl}-2-chloro-4-fluorobenzamide

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

S233-0049

Molecular Formula

C17H20ClFN2O2 (C17 H20 ClFN2 O2)

Compound Name

N~1~-{[(7aR)-1-methyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4-yl]methyl}-2-chloro-4-fluorobenzamide

IUPAC name

N-{[(4aS7aR)-1-methyl-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl}-2-chloro-4-fluorobenzamide

SMILES

CN([C@H](CCC1)[C@]1(CNC(c(ccc(F)c1)c1Cl)=O)CC1)C1=O

InChI

InChI=1S/C17H20ClFN2O2/c1-21-14-3-2-7-17(14,8-6-15(21)22)10-20-16(23)12-5-4-11(19)9-13(12)18/h4-5,9,14H,2-3,6-8,10H2,1H3,(H,20,23)/t14-,17+/m1/s1

InChI Key

LKEJKXIIDWVWKF-PBHICJAKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.600

Distribution Coefficient, logD

2.600

Water Solubility, LogSw

-3.70

Polar Surface Area

40.981

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

7.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.94

S233-0049 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S233-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S233-0049?
Check Price and Availability of S233-0049, 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 S233-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S233-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S233-0049
  • 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 S233-0049 available by request