E786-1999 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-[(thiophen-2-yl)methyl]thiophene-2-sulfonamide

E786-1999 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-[(thiophen-2-yl)methyl]thiophene-2-sulfonamide
E786-1999 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-[(thiophen-2-yl)methyl]thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-1999
5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-[(thiophen-2-yl)methyl]thiophene-2-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

E786-1999

Molecular Formula

C17H13N3O4S3 (C17 H13 N3 O4 S3)

Compound Name

5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-[(thiophen-2-yl)methyl]thiophene-2-sulfonamide

IUPAC name

5-({57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}methyl)-N-[(thiophen-2-yl)methyl]thiophene-2-sulfonamide

SMILES

O=C(c1c2nccc1)N(Cc(s1)ccc1S(NCc1cccs1)(=O)=O)C2=O

InChI

InChI=1S/C17H13N3O4S3/c21-16-13-4-1-7-18-15(13)17(22)20(16)10-12-5-6-14(26-12)27(23,24)19-9-11-3-2-8-25-11/h1-8,19H,9-10H2

InChI Key

XNBBQERXEDLLHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.601

Distribution Coefficient, logD

1.599

Water Solubility, LogSw

-2.75

Polar Surface Area

83.195

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

-4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

E786-1999 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 E786-1999 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-1999?
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What is the minimum amount of E786-1999 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-1999
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-1999
  • 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 E786-1999 available by request