E207-1405 Screening compound: N~3~-(3,4-diethoxyphenethyl)-1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-thiochromeno[4,3-c]pyrazole-3-carboxamide

E207-1405 Screening compound: N~3~-(3,4-diethoxyphenethyl)-1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-thiochromeno[4,3-c]pyrazole-3-carboxamide
E207-1405 Screening compound: N~3~-(3,4-diethoxyphenethyl)-1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-thiochromeno[4,3-c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E207-1405
N~3~-(3,4-diethoxyphenethyl)-1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-thiochromeno[4,3-c]pyrazole-3-carboxamide

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

E207-1405

Molecular Formula

C24H27N3O5S (C24 H27 N3 O5 S)

Compound Name

N~3~-(3,4-diethoxyphenethyl)-1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-thiochromeno[4,3-c]pyrazole-3-carboxamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-1-methyl-55-dioxo-1H4H-5lambda6-thiochromeno[43-c]pyrazole-3-carboxamide

SMILES

CCOc(ccc(CCNC(c1nn(C)c(-c2c3cccc2)c1CS3(=O)=O)=O)c1)c1OCC

InChI

InChI=1S/C24H27N3O5S/c1-4-31-19-11-10-16(14-20(19)32-5-2)12-13-25-24(28)22-18-15-33(29,30)21-9-7-6-8-17(21)23(18)27(3)26-22/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,25,28)

InChI Key

AIJNCQYMEJFULS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14846369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.840

Distribution Coefficient, logD

1.840

Water Solubility, LogSw

-2.74

Polar Surface Area

81.762

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E207-1405 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Structure:
  • Pool
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E207-1405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E207-1405?
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What is the minimum amount of E207-1405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E207-1405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E207-1405
  • 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 E207-1405 available by request