S606-0971 Screening compound: 3-[(3R)-1-(3-cyclohexylpropanoyl)tetrahydro-1H-pyrrol-3-yl]-1-methyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

S606-0971 Screening compound: 3-[(3R)-1-(3-cyclohexylpropanoyl)tetrahydro-1H-pyrrol-3-yl]-1-methyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
S606-0971 Screening compound: 3-[(3R)-1-(3-cyclohexylpropanoyl)tetrahydro-1H-pyrrol-3-yl]-1-methyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S606-0971
3-[(3R)-1-(3-cyclohexylpropanoyl)tetrahydro-1H-pyrrol-3-yl]-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

S606-0971

Molecular Formula

C20H28N4O2 (C20 H28 N4 O2)

Compound Name

3-[(3R)-1-(3-cyclohexylpropanoyl)tetrahydro-1H-pyrrol-3-yl]-1-methyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

IUPAC name

3-[(3R)-1-(3-cyclohexylpropanoyl)pyrrolidin-3-yl]-1-methyl-1H2H3H-imidazo[45-b]pyridin-2-one

SMILES

CN(c1c(N2[C@H](CC3)CN3C(CCC3CCCCC3)=O)nccc1)C2=O

InChI

InChI=1S/C20H28N4O2/c1-22-17-8-5-12-21-19(17)24(20(22)26)16-11-13-23(14-16)18(25)10-9-15-6-3-2-4-7-15/h5,8,12,15-16H,2-4,6-7,9-11,13-14H2,1H3/t16-/m1/s1

InChI Key

HLIQNYDXWLXERG-MRXNPFEDSA-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

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.975

Distribution Coefficient, logD

2.975

Water Solubility, LogSw

-3.22

Polar Surface Area

43.859

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

S606-0971 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S606-0971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S606-0971?
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What is the minimum amount of S606-0971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S606-0971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S606-0971
  • 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 S606-0971 available by request