S606-0478 Screening compound: (3R)-3-[1-(2-methoxyethyl)-2-oxo-1,2-dihydro-3H-imidazo[4,5-b]pyridin-3-yl]-N-phenethyltetrahydro-1H-pyrrole-1-carboxamide

S606-0478 Screening compound: (3R)-3-[1-(2-methoxyethyl)-2-oxo-1,2-dihydro-3H-imidazo[4,5-b]pyridin-3-yl]-N-phenethyltetrahydro-1H-pyrrole-1-carboxamide
S606-0478 Screening compound: (3R)-3-[1-(2-methoxyethyl)-2-oxo-1,2-dihydro-3H-imidazo[4,5-b]pyridin-3-yl]-N-phenethyltetrahydro-1H-pyrrole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S606-0478
(3R)-3-[1-(2-methoxyethyl)-2-oxo-1,2-dihydro-3H-imidazo[4,5-b]pyridin-3-yl]-N-phenethyltetrahydro-1H-pyrrole-1-carboxamide

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

S606-0478

Molecular Formula

C22H27N5O3 (C22 H27 N5 O3)

Compound Name

(3R)-3-[1-(2-methoxyethyl)-2-oxo-1,2-dihydro-3H-imidazo[4,5-b]pyridin-3-yl]-N-phenethyltetrahydro-1H-pyrrole-1-carboxamide

IUPAC name

(3R)-3-[1-(2-methoxyethyl)-2-oxo-1H2H3H-imidazo[45-b]pyridin-3-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide

SMILES

COCCN(c1c(N2[C@H](CC3)CN3C(NCCc3ccccc3)=O)nccc1)C2=O

InChI

InChI=1S/C22H27N5O3/c1-30-15-14-26-19-8-5-11-23-20(19)27(22(26)29)18-10-13-25(16-18)21(28)24-12-9-17-6-3-2-4-7-17/h2-8,11,18H,9-10,12-16H2,1H3,(H,24,28)/t18-/m1/s1

InChI Key

GKXQNMQCDHSPIO-GOSISDBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.165

Distribution Coefficient, logD

2.165

Water Solubility, LogSw

-2.43

Polar Surface Area

62.733

Acid Dissociation Constant (pKa)

15.89

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.91

S606-0478 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 S606-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S606-0478?
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What is the minimum amount of S606-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S606-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S606-0478
  • 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 S606-0478 available by request