8016-8469 Screening compound: 3-fluoro-N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]benzamide

8016-8469 Screening compound: 3-fluoro-N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]benzamide
8016-8469 Screening compound: 3-fluoro-N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8469
3-fluoro-N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]benzamide

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

8016-8469

Molecular Formula

C18H15F2N3O (C18 H15 F2 N3 O)

Compound Name

3-fluoro-N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]benzamide

IUPAC name

3-fluoro-N-{1-[(4-fluorophenyl)methyl]-3-methyl-1H-pyrazol-5-yl}benzamide

SMILES

Cc1nn(Cc(cc2)ccc2F)c(NC(c2cccc(F)c2)=O)c1

InChI

InChI=1S/C18H15F2N3O/c1-12-9-17(21-18(24)14-3-2-4-16(20)10-14)23(22-12)11-13-5-7-15(19)8-6-13/h2-10H,11H2,1H3,(H,21,24)

InChI Key

SLENUKVLQMZRPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05859666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.305

Distribution Coefficient, logD

3.283

Water Solubility, LogSw

-3.44

Polar Surface Area

37.435

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

8016-8469 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Proteases Annotated Library (2868 compounds)

PI3K-Targeted Library (17255 compounds)

Selective Target Activity Profiling Library (14702 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
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8016-8469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8469?
Check Price and Availability of 8016-8469, 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 8016-8469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8469
  • 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 8016-8469 available by request