S607-0172 Screening compound: 3-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperidin-3-yl]-1-methyl-1H,2H,3H-imidazo[4,5-b]pyridin-2-one

S607-0172 Screening compound: 3-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperidin-3-yl]-1-methyl-1H,2H,3H-imidazo[4,5-b]pyridin-2-one
S607-0172 Screening compound: 3-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperidin-3-yl]-1-methyl-1H,2H,3H-imidazo[4,5-b]pyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S607-0172
3-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperidin-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

S607-0172

Molecular Formula

C20H22N4O5S (C20 H22 N4 O5 S)

Compound Name

3-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperidin-3-yl]-1-methyl-1H,2H,3H-imidazo[4,5-b]pyridin-2-one

IUPAC name

3-[(3S)-1-(23-dihydro-14-benzodioxine-6-sulfonyl)piperidin-3-yl]-1-methyl-1H2H3H-imidazo[45-b]pyridin-2-one

SMILES

CN(c1cccnc1N1[C@@H](CCC2)CN2S(c(cc2)cc3c2OCCO3)(=O)=O)C1=O

InChI

InChI=1S/C20H22N4O5S/c1-22-16-5-2-8-21-19(16)24(20(22)25)14-4-3-9-23(13-14)30(26,27)15-6-7-17-18(12-15)29-11-10-28-17/h2,5-8,12,14H,3-4,9-11,13H2,1H3/t14-/m0/s1

InChI Key

LYBCBZXVRGRVKX-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.088

Distribution Coefficient, logD

1.088

Water Solubility, LogSw

-2.39

Polar Surface Area

74.714

Acid Dissociation Constant (pKa)

21.93

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

S607-0172 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 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
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S607-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S607-0172?
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What is the minimum amount of S607-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S607-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S607-0172
  • 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 S607-0172 available by request