S606-0019 Screening compound: 1-methyl-3-[(3R)-1-(3-methylbutanoyl)tetrahydro-1H-pyrrol-3-yl]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

S606-0019 Screening compound: 1-methyl-3-[(3R)-1-(3-methylbutanoyl)tetrahydro-1H-pyrrol-3-yl]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
S606-0019 Screening compound: 1-methyl-3-[(3R)-1-(3-methylbutanoyl)tetrahydro-1H-pyrrol-3-yl]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S606-0019
1-methyl-3-[(3R)-1-(3-methylbutanoyl)tetrahydro-1H-pyrrol-3-yl]-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

S606-0019

Molecular Formula

C16H22N4O2 (C16 H22 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C16H22N4O2/c1-11(2)9-14(21)19-8-6-12(10-19)20-15-13(5-4-7-17-15)18(3)16(20)22/h4-5,7,11-12H,6,8-10H2,1-3H3/t12-/m1/s1

InChI Key

SGMARGAAGDJJPK-GFCCVEGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.38

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

1.676

Distribution Coefficient, logD

1.676

Water Solubility, LogSw

-1.69

Polar Surface Area

43.938

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.25

S606-0019 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S606-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S606-0019?
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What is the minimum amount of S606-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S606-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S606-0019
  • 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 S606-0019 available by request