S606-0858 Screening compound: (3R)-3-(2-oxo-1,2-dihydro-3H-imidazo[4,5-b]pyridin-3-yl)-N-[4-(trifluoromethoxy)benzyl]tetrahydro-1H-pyrrole-1-carboxamide

S606-0858 Screening compound: (3R)-3-(2-oxo-1,2-dihydro-3H-imidazo[4,5-b]pyridin-3-yl)-N-[4-(trifluoromethoxy)benzyl]tetrahydro-1H-pyrrole-1-carboxamide
S606-0858 Screening compound: (3R)-3-(2-oxo-1,2-dihydro-3H-imidazo[4,5-b]pyridin-3-yl)-N-[4-(trifluoromethoxy)benzyl]tetrahydro-1H-pyrrole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S606-0858
(3R)-3-(2-oxo-1,2-dihydro-3H-imidazo[4,5-b]pyridin-3-yl)-N-[4-(trifluoromethoxy)benzyl]tetrahydro-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

S606-0858

Molecular Formula

C19H18F3N5O3 (C19 H18 F3 N5 O3)

Compound Name

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

IUPAC name

(3R)-3-{2-oxo-1H2H3H-imidazo[45-b]pyridin-3-yl}-N-{[4-(trifluoromethoxy)phenyl]methyl}pyrrolidine-1-carboxamide

SMILES

O=C(NCc(cc1)ccc1OC(F)(F)F)N(CC1)C[C@@H]1N(c1ncccc1N1)C1=O

InChI

InChI=1S/C19H18F3N5O3/c20-19(21,22)30-14-5-3-12(4-6-14)10-24-17(28)26-9-7-13(11-26)27-16-15(25-18(27)29)2-1-8-23-16/h1-6,8,13H,7,9-11H2,(H,24,28)(H,25,29)/t13-/m0/s1

InChI Key

VKBUTCPLXUVENW-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.103

Distribution Coefficient, logD

3.103

Water Solubility, LogSw

-3.31

Polar Surface Area

69.450

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

S606-0858 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S606-0858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S606-0858?
Check Price and Availability of S606-0858, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S606-0858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S606-0858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S606-0858
  • 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 S606-0858 available by request