E786-2138 Screening compound: 6-({4-fluoro-2-[(4-phenylpiperazin-1-yl)sulfonyl]phenyl}methyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

E786-2138 Screening compound: 6-({4-fluoro-2-[(4-phenylpiperazin-1-yl)sulfonyl]phenyl}methyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione
E786-2138 Screening compound: 6-({4-fluoro-2-[(4-phenylpiperazin-1-yl)sulfonyl]phenyl}methyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-2138
6-({4-fluoro-2-[(4-phenylpiperazin-1-yl)sulfonyl]phenyl}methyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

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

E786-2138

Molecular Formula

C24H21FN4O4S (C24 H21 FN4 O4 S)

Compound Name

6-({4-fluoro-2-[(4-phenylpiperazin-1-yl)sulfonyl]phenyl}methyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

IUPAC name

6-({4-fluoro-2-[(4-phenylpiperazin-1-yl)sulfonyl]phenyl}methyl)-5H6H7H-pyrrolo[34-b]pyridine-57-dione

SMILES

O=C(c1c2nccc1)N(Cc(ccc(F)c1)c1S(N(CC1)CCN1c1ccccc1)(=O)=O)C2=O

InChI

InChI=1S/C24H21FN4O4S/c25-18-9-8-17(16-29-23(30)20-7-4-10-26-22(20)24(29)31)21(15-18)34(32,33)28-13-11-27(12-14-28)19-5-2-1-3-6-19/h1-10,15H,11-14,16H2

InChI Key

HAPMESHXYIMUOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.133

Distribution Coefficient, logD

2.133

Water Solubility, LogSw

-3.18

Polar Surface Area

74.372

Acid Dissociation Constant (pKa)

26.35

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

E786-2138 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 E786-2138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-2138?
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What is the minimum amount of E786-2138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-2138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-2138
  • 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 E786-2138 available by request