E912-0302 Screening compound: ethyl 4-[5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxybenzenesulfonamido]benzoate

E912-0302 Screening compound: ethyl 4-[5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxybenzenesulfonamido]benzoate
E912-0302 Screening compound: ethyl 4-[5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxybenzenesulfonamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E912-0302
ethyl 4-[5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxybenzenesulfonamido]benzoate

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

E912-0302

Molecular Formula

C24H21N3O7S (C24 H21 N3 O7 S)

Compound Name

ethyl 4-[5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxybenzenesulfonamido]benzoate

IUPAC name

ethyl 4-[5-({57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}methyl)-2-methoxybenzenesulfonamido]benzoate

SMILES

CCOC(c(cc1)ccc1NS(c(cc(CN(C(c1c2nccc1)=O)C2=O)cc1)c1OC)(=O)=O)=O

InChI

InChI=1S/C24H21N3O7S/c1-3-34-24(30)16-7-9-17(10-8-16)26-35(31,32)20-13-15(6-11-19(20)33-2)14-27-22(28)18-5-4-12-25-21(18)23(27)29/h4-13,26H,3,14H2,1-2H3

InChI Key

CIMCFQYFUCNXDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14927361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.51

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.471

Distribution Coefficient, logD

2.008

Water Solubility, LogSw

-3.00

Polar Surface Area

108.434

Acid Dissociation Constant (pKa)

7.12

Base Dissociation Constant (pKb)

-6.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

E912-0302 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Neuropeptide S Library (2850 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 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
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Proteases
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E912-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E912-0302?
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What is the minimum amount of E912-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E912-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E912-0302
  • 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 E912-0302 available by request