E786-2229 Screening compound: N-{4-[2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluorobenzenesulfonamido]phenyl}acetamide

E786-2229 Screening compound: N-{4-[2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluorobenzenesulfonamido]phenyl}acetamide
E786-2229 Screening compound: N-{4-[2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluorobenzenesulfonamido]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-2229
N-{4-[2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluorobenzenesulfonamido]phenyl}acetamide

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

E786-2229

Molecular Formula

C22H17FN4O5S (C22 H17 FN4 O5 S)

Compound Name

N-{4-[2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluorobenzenesulfonamido]phenyl}acetamide

IUPAC name

N-{4-[2-({57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}methyl)-5-fluorobenzenesulfonamido]phenyl}acetamide

SMILES

CC(Nc(cc1)ccc1NS(c1c(CN(C(c2c3nccc2)=O)C3=O)ccc(F)c1)(=O)=O)=O

InChI

InChI=1S/C22H17FN4O5S/c1-13(28)25-16-6-8-17(9-7-16)26-33(31,32)19-11-15(23)5-4-14(19)12-27-21(29)18-3-2-10-24-20(18)22(27)30/h2-11,26H,12H2,1H3,(H,25,28)

InChI Key

XOQOJKXJLMIKJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.297

Distribution Coefficient, logD

1.199

Water Solubility, LogSw

-2.55

Polar Surface Area

103.312

Acid Dissociation Constant (pKa)

8.00

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

E786-2229 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • 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 E786-2229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-2229?
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What is the minimum amount of E786-2229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-2229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-2229
  • 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 E786-2229 available by request