K781-9796 Screening compound: N-(2,6-dimethylphenyl)-2-fluoro-5-(piperidine-1-sulfonyl)benzamide

K781-9796 Screening compound: N-(2,6-dimethylphenyl)-2-fluoro-5-(piperidine-1-sulfonyl)benzamide
K781-9796 Screening compound: N-(2,6-dimethylphenyl)-2-fluoro-5-(piperidine-1-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-9796
N-(2,6-dimethylphenyl)-2-fluoro-5-(piperidine-1-sulfonyl)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

K781-9796

Molecular Formula

C20H23FN2O3S (C20 H23 FN2 O3 S)

Compound Name

N-(2,6-dimethylphenyl)-2-fluoro-5-(piperidine-1-sulfonyl)benzamide

IUPAC name

N-(26-dimethylphenyl)-2-fluoro-5-(piperidine-1-sulfonyl)benzamide

SMILES

Cc1cccc(C)c1NC(c(cc(cc1)S(N2CCCCC2)(=O)=O)c1F)=O

InChI

InChI=1S/C20H23FN2O3S/c1-14-7-6-8-15(2)19(14)22-20(24)17-13-16(9-10-18(17)21)27(25,26)23-11-4-3-5-12-23/h6-10,13H,3-5,11-12H2,1-2H3,(H,22,24)

InChI Key

VBFFXCQAMWUHOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15095517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.498

Distribution Coefficient, logD

3.490

Water Solubility, LogSw

-3.78

Polar Surface Area

53.645

Acid Dissociation Constant (pKa)

9.14

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

K781-9796 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with K781-9796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-9796?
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What is the minimum amount of K781-9796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-9796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-9796
  • 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 K781-9796 available by request