E912-0374 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxy-N-methyl-N-(4-methylphenyl)benzene-1-sulfonamide

E912-0374 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxy-N-methyl-N-(4-methylphenyl)benzene-1-sulfonamide
E912-0374 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxy-N-methyl-N-(4-methylphenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E912-0374
5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxy-N-methyl-N-(4-methylphenyl)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

E912-0374

Molecular Formula

C23H21N3O5S (C23 H21 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1N(C)S(c(cc(CN(C(c1c2nccc1)=O)C2=O)cc1)c1OC)(=O)=O

InChI

InChI=1S/C23H21N3O5S/c1-15-6-9-17(10-7-15)25(2)32(29,30)20-13-16(8-11-19(20)31-3)14-26-22(27)18-5-4-12-24-21(18)23(26)28/h4-13H,14H2,1-3H3

InChI Key

YJEFVOUKEZKIAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14927402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.655

Distribution Coefficient, logD

2.655

Water Solubility, LogSw

-3.15

Polar Surface Area

79.852

Acid Dissociation Constant (pKa)

28.50

Base Dissociation Constant (pKb)

-6.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

E912-0374 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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
Structure:
  • Pool
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E912-0374 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E912-0374?
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What is the minimum amount of E912-0374 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E912-0374
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E912-0374
  • 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 E912-0374 available by request