8007-8789 Screening compound: 1-(4,5-difluoro-2-methylbenzoyl)-3,5-dimethyl-1H-pyrazole

8007-8789 Screening compound: 1-(4,5-difluoro-2-methylbenzoyl)-3,5-dimethyl-1H-pyrazole
8007-8789 Screening compound: 1-(4,5-difluoro-2-methylbenzoyl)-3,5-dimethyl-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-8789
1-(4,5-difluoro-2-methylbenzoyl)-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

8007-8789

Molecular Formula

C13H12F2N2O (C13 H12 F2 N2 O)

Compound Name

1-(4,5-difluoro-2-methylbenzoyl)-3,5-dimethyl-1H-pyrazole

IUPAC name

1-(45-difluoro-2-methylbenzoyl)-35-dimethyl-1H-pyrazole

SMILES

Cc1cc(C)nn1C(c(c(C)c1)cc(F)c1F)=O

InChI

InChI=1S/C13H12F2N2O/c1-7-4-11(14)12(15)6-10(7)13(18)17-9(3)5-8(2)16-17/h4-6H,1-3H3

InChI Key

KIRWPXOBFWDIOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01304504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.178

Distribution Coefficient, logD

2.178

Water Solubility, LogSw

-2.25

Polar Surface Area

27.306

Acid Dissociation Constant (pKa)

26.01

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

8007-8789 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8007-8789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-8789?
Check Price and Availability of 8007-8789, 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 8007-8789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-8789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-8789
  • 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 8007-8789 available by request