8018-0104 Screening compound: 3-fluoro-4-methoxy-N~1~-[4-(2-pyridylmethyl)phenyl]-1-benzenesulfonamide

8018-0104 Screening compound: 3-fluoro-4-methoxy-N~1~-[4-(2-pyridylmethyl)phenyl]-1-benzenesulfonamide
8018-0104 Screening compound: 3-fluoro-4-methoxy-N~1~-[4-(2-pyridylmethyl)phenyl]-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0104
3-fluoro-4-methoxy-N~1~-[4-(2-pyridylmethyl)phenyl]-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

8018-0104

Molecular Formula

C19H17FN2O3S (C19 H17 FN2 O3 S)

Compound Name

3-fluoro-4-methoxy-N~1~-[4-(2-pyridylmethyl)phenyl]-1-benzenesulfonamide

IUPAC name

3-fluoro-4-methoxy-N-{4-[(pyridin-2-yl)methyl]phenyl}benzene-1-sulfonamide

SMILES

COc(ccc(S(Nc1ccc(Cc2ncccc2)cc1)(=O)=O)c1)c1F

InChI

InChI=1S/C19H17FN2O3S/c1-25-19-10-9-17(13-18(19)20)26(23,24)22-15-7-5-14(6-8-15)12-16-4-2-3-11-21-16/h2-11,13,22H,12H2,1H3

InChI Key

RVZDNYZHYRATSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07021852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.330

Distribution Coefficient, logD

3.327

Water Solubility, LogSw

-3.73

Polar Surface Area

57.790

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.53

8018-0104 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 8018-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0104?
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What is the minimum amount of 8018-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0104
  • 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 8018-0104 available by request