S605-0052 Screening compound: 3-[1-(4-fluoro-3-methylbenzenesulfonyl)pyrrolidin-3-yl]-1-methyl-1H,2H,3H-imidazo[4,5-b]pyridin-2-one

S605-0052 Screening compound: 3-[1-(4-fluoro-3-methylbenzenesulfonyl)pyrrolidin-3-yl]-1-methyl-1H,2H,3H-imidazo[4,5-b]pyridin-2-one
S605-0052 Screening compound: 3-[1-(4-fluoro-3-methylbenzenesulfonyl)pyrrolidin-3-yl]-1-methyl-1H,2H,3H-imidazo[4,5-b]pyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S605-0052
3-[1-(4-fluoro-3-methylbenzenesulfonyl)pyrrolidin-3-yl]-1-methyl-1H,2H,3H-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

S605-0052

Molecular Formula

C18H19FN4O3S (C18 H19 FN4 O3 S)

Compound Name

3-[1-(4-fluoro-3-methylbenzenesulfonyl)pyrrolidin-3-yl]-1-methyl-1H,2H,3H-imidazo[4,5-b]pyridin-2-one

IUPAC name

3-[(3S)-1-(4-fluoro-3-methylbenzenesulfonyl)pyrrolidin-3-yl]-1-methyl-1H2H3H-imidazo[45-b]pyridin-2-one

SMILES

Cc(cc(cc1)S(N(CC2)C[C@H]2N(c2ncccc2N2C)C2=O)(=O)=O)c1F

InChI

InChI=1S/C18H19FN4O3S/c1-12-10-14(5-6-15(12)19)27(25,26)22-9-7-13(11-22)23-17-16(4-3-8-20-17)21(2)18(23)24/h3-6,8,10,13H,7,9,11H2,1-2H3/t13-/m1/s1

InChI Key

PYHWFQCHAKQAMM-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.420

Distribution Coefficient, logD

2.420

Water Solubility, LogSw

-2.58

Polar Surface Area

59.256

Acid Dissociation Constant (pKa)

21.84

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

S605-0052 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S605-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S605-0052?
Check Price and Availability of S605-0052, 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 S605-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S605-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S605-0052
  • 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 S605-0052 available by request