E786-2101 Screening compound: N-(4-chloro-2-methylphenyl)-2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluorobenzene-1-sulfonamide

E786-2101 Screening compound: N-(4-chloro-2-methylphenyl)-2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluorobenzene-1-sulfonamide
E786-2101 Screening compound: N-(4-chloro-2-methylphenyl)-2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluorobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-2101
N-(4-chloro-2-methylphenyl)-2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluorobenzene-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

E786-2101

Molecular Formula

C21H15ClFN3O4S (C21 H15 ClFN3 O4 S)

Compound Name

N-(4-chloro-2-methylphenyl)-2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluorobenzene-1-sulfonamide

IUPAC name

N-(4-chloro-2-methylphenyl)-2-({57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}methyl)-5-fluorobenzene-1-sulfonamide

SMILES

Cc(cc(cc1)Cl)c1NS(c1c(CN(C(c2c3nccc2)=O)C3=O)ccc(F)c1)(=O)=O

InChI

InChI=1S/C21H15ClFN3O4S/c1-12-9-14(22)5-7-17(12)25-31(29,30)18-10-15(23)6-4-13(18)11-26-20(27)16-3-2-8-24-19(16)21(26)28/h2-10,25H,11H2,1H3

InChI Key

KYRVQWCCQFQTFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.89

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.169

Distribution Coefficient, logD

1.820

Water Solubility, LogSw

-3.67

Polar Surface Area

79.352

Acid Dissociation Constant (pKa)

6.07

Base Dissociation Constant (pKb)

-6.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

E786-2101 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Digestive system
  • Nervous system
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E786-2101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-2101?
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What is the minimum amount of E786-2101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-2101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-2101
  • 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 E786-2101 available by request