S606-0448 Screening compound: 1-(2-methoxyethyl)-3-[(3R)-1-(3-phenylpropanoyl)tetrahydro-1H-pyrrol-3-yl]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

S606-0448 Screening compound: 1-(2-methoxyethyl)-3-[(3R)-1-(3-phenylpropanoyl)tetrahydro-1H-pyrrol-3-yl]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
S606-0448 Screening compound: 1-(2-methoxyethyl)-3-[(3R)-1-(3-phenylpropanoyl)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 S606-0448
1-(2-methoxyethyl)-3-[(3R)-1-(3-phenylpropanoyl)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

S606-0448

Molecular Formula

C22H26N4O3 (C22 H26 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

COCCN(c1c(N2[C@H](CC3)CN3C(CCc3ccccc3)=O)nccc1)C2=O

InChI

InChI=1S/C22H26N4O3/c1-29-15-14-25-19-8-5-12-23-21(19)26(22(25)28)18-11-13-24(16-18)20(27)10-9-17-6-3-2-4-7-17/h2-8,12,18H,9-11,13-16H2,1H3/t18-/m1/s1

InChI Key

RVEQDWAVXHMSSC-GOSISDBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.342

Distribution Coefficient, logD

2.342

Water Solubility, LogSw

-2.30

Polar Surface Area

52.222

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.91

S606-0448 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 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 S606-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S606-0448?
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What is the minimum amount of S606-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S606-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S606-0448
  • 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 S606-0448 available by request