8016-6778 Screening compound: 4-fluoro-N-{3-methyl-1-[(naphthalen-1-yl)methyl]-1H-pyrazol-5-yl}benzamide

8016-6778 Screening compound: 4-fluoro-N-{3-methyl-1-[(naphthalen-1-yl)methyl]-1H-pyrazol-5-yl}benzamide
8016-6778 Screening compound: 4-fluoro-N-{3-methyl-1-[(naphthalen-1-yl)methyl]-1H-pyrazol-5-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6778
4-fluoro-N-{3-methyl-1-[(naphthalen-1-yl)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

8016-6778

Molecular Formula

C22H18FN3O (C22 H18 FN3 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1nn(Cc2cccc3ccccc23)c(NC(c(cc2)ccc2F)=O)c1

InChI

InChI=1S/C22H18FN3O/c1-15-13-21(24-22(27)17-9-11-19(23)12-10-17)26(25-15)14-18-7-4-6-16-5-2-3-8-20(16)18/h2-13H,14H2,1H3,(H,24,27)

InChI Key

SOWFHHQTOJOOKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.4

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

4.437

Distribution Coefficient, logD

4.415

Water Solubility, LogSw

-4.49

Polar Surface Area

37.163

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

8016-6778 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PI3K-Targeted Library (17255 compounds)

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-6778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6778?
Check Price and Availability of 8016-6778, 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 8016-6778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6778
  • 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 8016-6778 available by request