S606-0592 Screening compound: 1-benzyl-3-[(3R)-1-(3-pyridylcarbonyl)tetrahydro-1H-pyrrol-3-yl]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

S606-0592 Screening compound: 1-benzyl-3-[(3R)-1-(3-pyridylcarbonyl)tetrahydro-1H-pyrrol-3-yl]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
S606-0592 Screening compound: 1-benzyl-3-[(3R)-1-(3-pyridylcarbonyl)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 S606-0592
1-benzyl-3-[(3R)-1-(3-pyridylcarbonyl)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

S606-0592

Molecular Formula

C23H21N5O2 (C23 H21 N5 O2)

Compound Name

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

IUPAC name

1-benzyl-3-[(3R)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-1H2H3H-imidazo[45-b]pyridin-2-one

SMILES

O=C(c1cnccc1)N(CC1)C[C@@H]1N(c(nccc1)c1N1Cc2ccccc2)C1=O

InChI

InChI=1S/C23H21N5O2/c29-22(18-8-4-11-24-14-18)26-13-10-19(16-26)28-21-20(9-5-12-25-21)27(23(28)30)15-17-6-2-1-3-7-17/h1-9,11-12,14,19H,10,13,15-16H2/t19-/m1/s1

InChI Key

HKGRXDHMPIRXHB-LJQANCHMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.211

Distribution Coefficient, logD

2.211

Water Solubility, LogSw

-1.91

Polar Surface Area

53.674

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.74

S606-0592 in Drug Discovery

Included in Screening Libraries

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 S606-0592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S606-0592?
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What is the minimum amount of S606-0592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S606-0592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S606-0592
  • 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 S606-0592 available by request