S606-0955 Screening compound: 3-[(3R)-1-(4-isopropoxybenzyl)tetrahydro-1H-pyrrol-3-yl]-1-methyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

S606-0955 Screening compound: 3-[(3R)-1-(4-isopropoxybenzyl)tetrahydro-1H-pyrrol-3-yl]-1-methyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
S606-0955 Screening compound: 3-[(3R)-1-(4-isopropoxybenzyl)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 S606-0955
3-[(3R)-1-(4-isopropoxybenzyl)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

S606-0955

Molecular Formula

C21H26N4O2 (C21 H26 N4 O2)

Compound Name

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

IUPAC name

1-methyl-3-[(3R)-1-{[4-(propan-2-yloxy)phenyl]methyl}pyrrolidin-3-yl]-1H2H3H-imidazo[45-b]pyridin-2-one

SMILES

CC(C)Oc1ccc(CN(CC2)C[C@@H]2N(c(nccc2)c2N2C)C2=O)cc1

InChI

InChI=1S/C21H26N4O2/c1-15(2)27-18-8-6-16(7-9-18)13-24-12-10-17(14-24)25-20-19(5-4-11-22-20)23(3)21(25)26/h4-9,11,15,17H,10,12-14H2,1-3H3/t17-/m1/s1

InChI Key

FFGKTDPLQBKXKA-QGZVFWFLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.46

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

2.811

Distribution Coefficient, logD

1.641

Water Solubility, LogSw

-3.08

Polar Surface Area

38.081

Acid Dissociation Constant (pKa)

21.55

Base Dissociation Constant (pKb)

8.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

S606-0955 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S606-0955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S606-0955?
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What is the minimum amount of S606-0955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S606-0955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S606-0955
  • 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 S606-0955 available by request