S606-0867 Screening compound: 3-[(3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)tetrahydro-1H-pyrrol-3-yl]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

S606-0867 Screening compound: 3-[(3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)tetrahydro-1H-pyrrol-3-yl]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
S606-0867 Screening compound: 3-[(3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)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 S606-0867
3-[(3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)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

S606-0867

Molecular Formula

C19H20N4O3S (C19 H20 N4 O3 S)

Compound Name

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

IUPAC name

3-[(3R)-1-(23-dihydro-1H-indene-5-sulfonyl)pyrrolidin-3-yl]-1H2H3H-imidazo[45-b]pyridin-2-one

SMILES

O=C1N([C@H](CC2)CN2S(c2cc(CCC3)c3cc2)(=O)=O)c2ncccc2N1

InChI

InChI=1S/C19H20N4O3S/c24-19-21-17-5-2-9-20-18(17)23(19)15-8-10-22(12-15)27(25,26)16-7-6-13-3-1-4-14(13)11-16/h2,5-7,9,11,15H,1,3-4,8,10,12H2,(H,21,24)/t15-/m0/s1

InChI Key

XWNQSLHFVBVZEB-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.068

Distribution Coefficient, logD

3.068

Water Solubility, LogSw

-3.48

Polar Surface Area

68.719

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.84

S606-0867 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S606-0867 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S606-0867?
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What is the minimum amount of S606-0867 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S606-0867
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S606-0867
  • 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 S606-0867 available by request