E207-1498 Screening compound: 1-methyl-N~3~-(4-methylphenethyl)-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-thiochromeno[4,3-c]pyrazole-3-carboxamide

E207-1498 Screening compound: 1-methyl-N~3~-(4-methylphenethyl)-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-thiochromeno[4,3-c]pyrazole-3-carboxamide
E207-1498 Screening compound: 1-methyl-N~3~-(4-methylphenethyl)-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 E207-1498
1-methyl-N~3~-(4-methylphenethyl)-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

E207-1498

Molecular Formula

C21H21N3O3S (C21 H21 N3 O3 S)

Compound Name

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

IUPAC name

1-methyl-N-[2-(4-methylphenyl)ethyl]-55-dioxo-1H4H-5lambda6-thiochromeno[43-c]pyrazole-3-carboxamide

SMILES

Cc1ccc(CCNC(c2nn(C)c(-c3c4cccc3)c2CS4(=O)=O)=O)cc1

InChI

InChI=1S/C21H21N3O3S/c1-14-7-9-15(10-8-14)11-12-22-21(25)19-17-13-28(26,27)18-6-4-3-5-16(18)20(17)24(2)23-19/h3-10H,11-13H2,1-2H3,(H,22,25)

InChI Key

CGENZWLAQFOBHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14846411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.255

Distribution Coefficient, logD

2.255

Water Solubility, LogSw

-2.89

Polar Surface Area

67.342

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

E207-1498 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 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)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E207-1498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E207-1498?
Check Price and Availability of E207-1498, 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 E207-1498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E207-1498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E207-1498
  • 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 E207-1498 available by request