S642-0039 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{1-oxo-3-phenyl-2-azaspiro[3.5]nonan-2-yl}acetamide

S642-0039 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{1-oxo-3-phenyl-2-azaspiro[3.5]nonan-2-yl}acetamide
S642-0039 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{1-oxo-3-phenyl-2-azaspiro[3.5]nonan-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S642-0039
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{1-oxo-3-phenyl-2-azaspiro[3.5]nonan-2-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

S642-0039

Molecular Formula

C24H32N2O2 (C24 H32 N2 O2)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{1-oxo-3-phenyl-2-azaspiro[3.5]nonan-2-yl}acetamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{1-oxo-3-phenyl-2-azaspiro[3.5]nonan-2-yl}acetamide

SMILES

O=C(CN(C(C12CCCCC2)c2ccccc2)C1=O)NCCC1=CCCCC1

InChI

InChI=1S/C24H32N2O2/c27-21(25-17-14-19-10-4-1-5-11-19)18-26-22(20-12-6-2-7-13-20)24(23(26)28)15-8-3-9-16-24/h2,6-7,10,12-13,22H,1,3-5,8-9,11,14-18H2,(H,25,27)/t22-/m0/s1

InChI Key

MLSAHFWJGYSNGS-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD31980839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.968

Distribution Coefficient, logD

3.968

Water Solubility, LogSw

-4.01

Polar Surface Area

40.679

Acid Dissociation Constant (pKa)

15.08

Base Dissociation Constant (pKb)

2.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.33

S642-0039 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S642-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S642-0039?
Check Price and Availability of S642-0039, 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 S642-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S642-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S642-0039
  • 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 S642-0039 available by request