E912-0405 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-[(furan-2-yl)methyl]-2-methoxy-N-methylbenzene-1-sulfonamide

E912-0405 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-[(furan-2-yl)methyl]-2-methoxy-N-methylbenzene-1-sulfonamide
E912-0405 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-[(furan-2-yl)methyl]-2-methoxy-N-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E912-0405
5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-[(furan-2-yl)methyl]-2-methoxy-N-methylbenzene-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

E912-0405

Molecular Formula

C21H19N3O6S (C21 H19 N3 O6 S)

Compound Name

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

IUPAC name

5-({57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}methyl)-N-[(furan-2-yl)methyl]-2-methoxy-N-methylbenzene-1-sulfonamide

SMILES

CN(Cc1ccco1)S(c(cc(CN(C(c1c2nccc1)=O)C2=O)cc1)c1OC)(=O)=O

InChI

InChI=1S/C21H19N3O6S/c1-23(13-15-5-4-10-30-15)31(27,28)18-11-14(7-8-17(18)29-2)12-24-20(25)16-6-3-9-22-19(16)21(24)26/h3-11H,12-13H2,1-2H3

InChI Key

MPCCETUPHFFFHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14927416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.46

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.333

Distribution Coefficient, logD

1.333

Water Solubility, LogSw

-2.36

Polar Surface Area

87.344

Acid Dissociation Constant (pKa)

28.50

Base Dissociation Constant (pKb)

-5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

E912-0405 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
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 E912-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E912-0405?
Check Price and Availability of E912-0405, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E912-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E912-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E912-0405
  • 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 E912-0405 available by request