E786-2254 Screening compound: 2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-[3-(1,2-oxazol-5-yl)phenyl]benzene-1-sulfonamide

E786-2254 Screening compound: 2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-[3-(1,2-oxazol-5-yl)phenyl]benzene-1-sulfonamide
E786-2254 Screening compound: 2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-[3-(1,2-oxazol-5-yl)phenyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-2254
2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-[3-(1,2-oxazol-5-yl)phenyl]benzene-1-sulfonamide

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

E786-2254

Molecular Formula

C23H15FN4O5S (C23 H15 FN4 O5 S)

Compound Name

2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-[3-(1,2-oxazol-5-yl)phenyl]benzene-1-sulfonamide

IUPAC name

2-({57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}methyl)-5-fluoro-N-[3-(12-oxazol-5-yl)phenyl]benzene-1-sulfonamide

SMILES

O=C(c1c2nccc1)N(Cc(ccc(F)c1)c1S(Nc1cc(-c3ccno3)ccc1)(=O)=O)C2=O

InChI

InChI=1S/C23H15FN4O5S/c24-16-7-6-15(13-28-22(29)18-5-2-9-25-21(18)23(28)30)20(12-16)34(31,32)27-17-4-1-3-14(11-17)19-8-10-26-33-19/h1-12,27H,13H2

InChI Key

HYUZOVRJULJMFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.136

Distribution Coefficient, logD

2.127

Water Solubility, LogSw

-3.23

Polar Surface Area

101.919

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

-2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

E786-2254 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with E786-2254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-2254?
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What is the minimum amount of E786-2254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-2254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-2254
  • 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 E786-2254 available by request