S607-0089 Screening compound: 3-[(3S)-1-(2-cyclohexylacetyl)hexahydro-3-pyridinyl]-1-methyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

S607-0089 Screening compound: 3-[(3S)-1-(2-cyclohexylacetyl)hexahydro-3-pyridinyl]-1-methyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
S607-0089 Screening compound: 3-[(3S)-1-(2-cyclohexylacetyl)hexahydro-3-pyridinyl]-1-methyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S607-0089
3-[(3S)-1-(2-cyclohexylacetyl)hexahydro-3-pyridinyl]-1-methyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

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

S607-0089

Molecular Formula

C20H28N4O2 (C20 H28 N4 O2)

Compound Name

3-[(3S)-1-(2-cyclohexylacetyl)hexahydro-3-pyridinyl]-1-methyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

IUPAC name

3-[(3S)-1-(2-cyclohexylacetyl)piperidin-3-yl]-1-methyl-1H2H3H-imidazo[45-b]pyridin-2-one

SMILES

CN(c1c(N2[C@@H](CCC3)CN3C(CC3CCCCC3)=O)nccc1)C2=O

InChI

InChI=1S/C20H28N4O2/c1-22-17-10-5-11-21-19(17)24(20(22)26)16-9-6-12-23(14-16)18(25)13-15-7-3-2-4-8-15/h5,10-11,15-16H,2-4,6-9,12-14H2,1H3/t16-/m0/s1

InChI Key

IDHSXNCQMYPQJE-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.951

Distribution Coefficient, logD

2.951

Water Solubility, LogSw

-3.17

Polar Surface Area

43.493

Acid Dissociation Constant (pKa)

21.92

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

S607-0089 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S607-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S607-0089?
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What is the minimum amount of S607-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S607-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S607-0089
  • 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 S607-0089 available by request