S606-0169 Screening compound: 3-[1-(1-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-methyl-1H,2H,3H-imidazo[4,5-b]pyridin-2-one

S606-0169 Screening compound: 3-[1-(1-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-methyl-1H,2H,3H-imidazo[4,5-b]pyridin-2-one
S606-0169 Screening compound: 3-[1-(1-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-methyl-1H,2H,3H-imidazo[4,5-b]pyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S606-0169
3-[1-(1-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-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

S606-0169

Molecular Formula

C17H20N6O2 (C17 H20 N6 O2)

Compound Name

3-[1-(1-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-methyl-1H,2H,3H-imidazo[4,5-b]pyridin-2-one

IUPAC name

3-[(3R)-1-(1-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-methyl-1H2H3H-imidazo[45-b]pyridin-2-one

SMILES

CCn(cc1)nc1C(N(CC1)C[C@@H]1N(c(nccc1)c1N1C)C1=O)=O

InChI

InChI=1S/C17H20N6O2/c1-3-22-10-7-13(19-22)16(24)21-9-6-12(11-21)23-15-14(5-4-8-18-15)20(2)17(23)25/h4-5,7-8,10,12H,3,6,9,11H2,1-2H3/t12-/m1/s1

InChI Key

XERHKAHSOAMYRT-GFCCVEGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.618

Distribution Coefficient, logD

0.618

Water Solubility, LogSw

-1.22

Polar Surface Area

58.579

Acid Dissociation Constant (pKa)

22.13

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.18

S606-0169 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S606-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S606-0169?
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What is the minimum amount of S606-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S606-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S606-0169
  • 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 S606-0169 available by request