S606-0851 Screening compound: 3-((3R)-1-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}tetrahydro-1H-pyrrol-3-yl)-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

S606-0851 Screening compound: 3-((3R)-1-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}tetrahydro-1H-pyrrol-3-yl)-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
S606-0851 Screening compound: 3-((3R)-1-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}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 S606-0851
3-((3R)-1-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}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

S606-0851

Molecular Formula

C20H19FN6O (C20 H19 FN6 O)

Compound Name

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

IUPAC name

3-[(3R)-1-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-3-yl]-1H2H3H-imidazo[45-b]pyridin-2-one

SMILES

O=C1N([C@H]2CN(Cc3c[nH]nc3-c(cc3)ccc3F)CC2)c2ncccc2N1

InChI

InChI=1S/C20H19FN6O/c21-15-5-3-13(4-6-15)18-14(10-23-25-18)11-26-9-7-16(12-26)27-19-17(24-20(27)28)2-1-8-22-19/h1-6,8,10,16H,7,9,11-12H2,(H,23,25)(H,24,28)/t16-/m0/s1

InChI Key

HTZCVZLZSBEFEL-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.507

Distribution Coefficient, logD

0.313

Water Solubility, LogSw

-2.72

Polar Surface Area

64.644

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

9.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

S606-0851 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Proteases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S606-0851 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S606-0851?
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What is the minimum amount of S606-0851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S606-0851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S606-0851
  • 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 S606-0851 available by request