4111-0820 Screening compound: 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(3-methylphenoxy)ethan-1-one

4111-0820 Screening compound: 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(3-methylphenoxy)ethan-1-one
4111-0820 Screening compound: 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(3-methylphenoxy)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4111-0820
1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(3-methylphenoxy)ethan-1-one

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

4111-0820

Molecular Formula

C14H16N2O2 (C14 H16 N2 O2)

Compound Name

1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(3-methylphenoxy)ethan-1-one

IUPAC name

1-(35-dimethyl-1H-pyrazol-1-yl)-2-(3-methylphenoxy)ethan-1-one

SMILES

Cc1cc(C)nn1C(COc1cc(C)ccc1)=O

InChI

InChI=1S/C14H16N2O2/c1-10-5-4-6-13(7-10)18-9-14(17)16-12(3)8-11(2)15-16/h4-8H,9H2,1-3H3

InChI Key

ITZWQDIQCHDNSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01366738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.821

Distribution Coefficient, logD

1.821

Water Solubility, LogSw

-1.95

Polar Surface Area

34.278

Acid Dissociation Constant (pKa)

16.75

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

4111-0820 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 4111-0820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4111-0820?
Check Price and Availability of 4111-0820, 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 4111-0820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4111-0820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4111-0820
  • 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 4111-0820 available by request