8017-8444 Screening compound: 4-fluoro-3-methyl-N~1~-(4-pyridylmethyl)-1-benzenesulfonamide

8017-8444 Screening compound: 4-fluoro-3-methyl-N~1~-(4-pyridylmethyl)-1-benzenesulfonamide
8017-8444 Screening compound: 4-fluoro-3-methyl-N~1~-(4-pyridylmethyl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8444
4-fluoro-3-methyl-N~1~-(4-pyridylmethyl)-1-benzenesulfonamide

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

8017-8444

Molecular Formula

C13H13FN2O2S (C13 H13 FN2 O2 S)

Compound Name

4-fluoro-3-methyl-N~1~-(4-pyridylmethyl)-1-benzenesulfonamide

IUPAC name

4-fluoro-3-methyl-N-[(pyridin-4-yl)methyl]benzene-1-sulfonamide

SMILES

Cc(cc(cc1)S(NCc2ccncc2)(=O)=O)c1F

InChI

InChI=1S/C13H13FN2O2S/c1-10-8-12(2-3-13(10)14)19(17,18)16-9-11-4-6-15-7-5-11/h2-8,16H,9H2,1H3

InChI Key

BIJVNYRAWPCOEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06618644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.937

Distribution Coefficient, logD

1.924

Water Solubility, LogSw

-2.40

Polar Surface Area

51.425

Acid Dissociation Constant (pKa)

9.53

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

8017-8444 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8017-8444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8444?
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What is the minimum amount of 8017-8444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8444
  • 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 8017-8444 available by request