E912-0341 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxy-N-(2-methylcyclohexyl)benzene-1-sulfonamide

E912-0341 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxy-N-(2-methylcyclohexyl)benzene-1-sulfonamide
E912-0341 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxy-N-(2-methylcyclohexyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E912-0341
5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxy-N-(2-methylcyclohexyl)benzene-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

E912-0341

Molecular Formula

C22H25N3O5S (C22 H25 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CCCC1)C1NS(c(cc(CN(C(c1c2nccc1)=O)C2=O)cc1)c1OC)(=O)=O

InChI

InChI=1S/C22H25N3O5S/c1-14-6-3-4-8-17(14)24-31(28,29)19-12-15(9-10-18(19)30-2)13-25-21(26)16-7-5-11-23-20(16)22(25)27/h5,7,9-12,14,17,24H,3-4,6,8,13H2,1-2H3

InChI Key

VPRJZSXSPJMNAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14927387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.188

Distribution Coefficient, logD

2.188

Water Solubility, LogSw

-2.98

Polar Surface Area

89.118

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

-4.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.90

E912-0341 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS targets activity set (6557 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with E912-0341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E912-0341?
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What is the minimum amount of E912-0341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E912-0341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E912-0341
  • 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 E912-0341 available by request