7611-0513 Screening compound: ethyl 5-(3,4-dimethoxybenzoyloxy)-1-phenyl-1H-pyrazole-3-carboxylate

7611-0513 Screening compound: ethyl 5-(3,4-dimethoxybenzoyloxy)-1-phenyl-1H-pyrazole-3-carboxylate
7611-0513 Screening compound: ethyl 5-(3,4-dimethoxybenzoyloxy)-1-phenyl-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7611-0513
ethyl 5-(3,4-dimethoxybenzoyloxy)-1-phenyl-1H-pyrazole-3-carboxylate

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

7611-0513

Molecular Formula

C21H20N2O6 (C21 H20 N2 O6)

Compound Name

ethyl 5-(3,4-dimethoxybenzoyloxy)-1-phenyl-1H-pyrazole-3-carboxylate

IUPAC name

ethyl 5-(34-dimethoxybenzoyloxy)-1-phenyl-1H-pyrazole-3-carboxylate

SMILES

CCOC(c(cc1OC(c(cc2)cc(OC)c2OC)=O)nn1-c1ccccc1)=O

InChI

InChI=1S/C21H20N2O6/c1-4-28-21(25)16-13-19(23(22-16)15-8-6-5-7-9-15)29-20(24)14-10-11-17(26-2)18(12-14)27-3/h5-13H,4H2,1-3H3

InChI Key

YMGILTLQBQYZTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.109

Distribution Coefficient, logD

3.109

Water Solubility, LogSw

-3.31

Polar Surface Area

70.125

Acid Dissociation Constant (pKa)

30.24

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

7611-0513 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 7611-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7611-0513?
Check Price and Availability of 7611-0513, 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 7611-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7611-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7611-0513
  • 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 7611-0513 available by request