5594-2585 Screening compound: 1-(3,5-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole

5594-2585 Screening compound: 1-(3,5-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole
5594-2585 Screening compound: 1-(3,5-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5594-2585
1-(3,5-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole

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

5594-2585

Molecular Formula

C14H16N2O3 (C14 H16 N2 O3)

Compound Name

1-(3,5-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole

IUPAC name

1-(35-dimethoxybenzoyl)-35-dimethyl-1H-pyrazole

SMILES

Cc1cc(C)nn1C(c1cc(OC)cc(OC)c1)=O

InChI

InChI=1S/C14H16N2O3/c1-9-5-10(2)16(15-9)14(17)11-6-12(18-3)8-13(7-11)19-4/h5-8H,1-4H3

InChI Key

WZKXIRZYCVLIHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01835211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.798

Distribution Coefficient, logD

1.798

Water Solubility, LogSw

-1.56

Polar Surface Area

42.393

Acid Dissociation Constant (pKa)

27.51

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

5594-2585 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Fragments Library (11262 compounds)

STING Agonist Library (5895 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
  • Fragments
Therapeutical areas:
  • Cancer
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Others
  • Proteases

References: we are preparing a list of scientific research reports with 5594-2585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5594-2585?
Check Price and Availability of 5594-2585, 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 5594-2585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5594-2585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5594-2585
  • 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 5594-2585 available by request