8012-8177 Screening compound: 4-bromo-2,5-dimethoxy-N~1~-(3-pyridylmethyl)-1-benzenesulfonamide

8012-8177 Screening compound: 4-bromo-2,5-dimethoxy-N~1~-(3-pyridylmethyl)-1-benzenesulfonamide
8012-8177 Screening compound: 4-bromo-2,5-dimethoxy-N~1~-(3-pyridylmethyl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-8177
4-bromo-2,5-dimethoxy-N~1~-(3-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

8012-8177

Molecular Formula

C14H15BrN2O4S (C14 H15 BrN2 O4 S)

Compound Name

4-bromo-2,5-dimethoxy-N~1~-(3-pyridylmethyl)-1-benzenesulfonamide

IUPAC name

4-bromo-25-dimethoxy-N-[(pyridin-3-yl)methyl]benzene-1-sulfonamide

SMILES

COc(c(S(NCc1cnccc1)(=O)=O)c1)cc(Br)c1OC

InChI

InChI=1S/C14H15BrN2O4S/c1-20-12-7-14(13(21-2)6-11(12)15)22(18,19)17-9-10-4-3-5-16-8-10/h3-8,17H,9H2,1-2H3

InChI Key

AEWWVICRTYEQJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02975685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.25

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.121

Distribution Coefficient, logD

2.120

Water Solubility, LogSw

-2.34

Polar Surface Area

66.775

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

8012-8177 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 8012-8177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-8177?
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What is the minimum amount of 8012-8177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-8177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-8177
  • 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 8012-8177 available by request