K781-3219 Screening compound: 5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-N-(diphenylmethyl)-2-fluorobenzamide

K781-3219 Screening compound: 5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-N-(diphenylmethyl)-2-fluorobenzamide
K781-3219 Screening compound: 5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-N-(diphenylmethyl)-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-3219
5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-N-(diphenylmethyl)-2-fluorobenzamide

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

K781-3219

Molecular Formula

C27H29FN2O3S (C27 H29 FN2 O3 S)

Compound Name

5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-N-(diphenylmethyl)-2-fluorobenzamide

IUPAC name

5-[(35-dimethylpiperidin-1-yl)sulfonyl]-N-(diphenylmethyl)-2-fluorobenzamide

SMILES

CC(CC(C)C1)CN1S(c(cc1)cc(C(NC(c2ccccc2)c2ccccc2)=O)c1F)(=O)=O

InChI

InChI=1S/C27H29FN2O3S/c1-19-15-20(2)18-30(17-19)34(32,33)23-13-14-25(28)24(16-23)27(31)29-26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,16,19-20,26H,15,17-18H2,1-2H3,(H,29,31)

InChI Key

MWVZWGYLMXZUDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15094087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.894

Distribution Coefficient, logD

5.790

Water Solubility, LogSw

-5.53

Polar Surface Area

55.310

Acid Dissociation Constant (pKa)

7.97

Base Dissociation Constant (pKb)

-4.89

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.63

K781-3219 in Drug Discovery

Included in Screening Libraries

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

CNS Annotated Library (688 compounds)

CNS targets activity set (6557 compounds)

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

Human GPCR Annotated Library (5539 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K781-3219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-3219?
Check Price and Availability of K781-3219, 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 K781-3219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-3219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-3219
  • 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 K781-3219 available by request