S605-0001 Screening compound: 3-(1-cyclohexanecarbonylpyrrolidin-3-yl)-1-methyl-1H,2H,3H-imidazo[4,5-b]pyridin-2-one

S605-0001 Screening compound: 3-(1-cyclohexanecarbonylpyrrolidin-3-yl)-1-methyl-1H,2H,3H-imidazo[4,5-b]pyridin-2-one
S605-0001 Screening compound: 3-(1-cyclohexanecarbonylpyrrolidin-3-yl)-1-methyl-1H,2H,3H-imidazo[4,5-b]pyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S605-0001
3-(1-cyclohexanecarbonylpyrrolidin-3-yl)-1-methyl-1H,2H,3H-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

S605-0001

Molecular Formula

C18H24N4O2 (C18 H24 N4 O2)

Compound Name

3-(1-cyclohexanecarbonylpyrrolidin-3-yl)-1-methyl-1H,2H,3H-imidazo[4,5-b]pyridin-2-one

IUPAC name

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

SMILES

CN(c1c(N2[C@@H](CC3)CN3C(C3CCCCC3)=O)nccc1)C2=O

InChI

InChI=1S/C18H24N4O2/c1-20-15-8-5-10-19-16(15)22(18(20)24)14-9-11-21(12-14)17(23)13-6-3-2-4-7-13/h5,8,10,13-14H,2-4,6-7,9,11-12H2,1H3/t14-/m0/s1

InChI Key

CFRVOLFNOOTVLL-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.288

Distribution Coefficient, logD

2.288

Water Solubility, LogSw

-2.41

Polar Surface Area

44.386

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

S605-0001 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS MPO Library (28609 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S605-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S605-0001?
Check Price and Availability of S605-0001, 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 S605-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S605-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S605-0001
  • 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 S605-0001 available by request