E146-1329 Screening compound: ethyl 4-{1-methyl-1H,4H-chromeno[4,3-c]pyrazole-3-amido}benzoate

E146-1329 Screening compound: ethyl 4-{1-methyl-1H,4H-chromeno[4,3-c]pyrazole-3-amido}benzoate
E146-1329 Screening compound: ethyl 4-{1-methyl-1H,4H-chromeno[4,3-c]pyrazole-3-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E146-1329
ethyl 4-{1-methyl-1H,4H-chromeno[4,3-c]pyrazole-3-amido}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

E146-1329

Molecular Formula

C21H19N3O4 (C21 H19 N3 O4)

Compound Name

ethyl 4-{1-methyl-1H,4H-chromeno[4,3-c]pyrazole-3-amido}benzoate

IUPAC name

ethyl 4-{1-methyl-1H4H-chromeno[43-c]pyrazole-3-amido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(c1nn(C)c-2c1COc1c2cccc1)=O)=O

InChI

InChI=1S/C21H19N3O4/c1-3-27-21(26)13-8-10-14(11-9-13)22-20(25)18-16-12-28-17-7-5-4-6-15(17)19(16)24(2)23-18/h4-11H,3,12H2,1-2H3,(H,22,25)

InChI Key

YLLKTFVIHPDROH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.492

Distribution Coefficient, logD

3.491

Water Solubility, LogSw

-3.80

Polar Surface Area

66.856

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

E146-1329 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 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
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Cancer
  • Endocrine
  • Immune system

References: we are preparing a list of scientific research reports with E146-1329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E146-1329?
Check Price and Availability of E146-1329, 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 E146-1329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E146-1329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E146-1329
  • 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 E146-1329 available by request