8018-9114 Screening compound: N-{[5-(aminomethyl)furan-2-yl]methyl}benzenesulfonamide

8018-9114 Screening compound: N-{[5-(aminomethyl)furan-2-yl]methyl}benzenesulfonamide
8018-9114 Screening compound: N-{[5-(aminomethyl)furan-2-yl]methyl}benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9114
N-{[5-(aminomethyl)furan-2-yl]methyl}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

8018-9114

Molecular Formula

C12H14N2O3S (C12 H14 N2 O3 S)

Compound Name

N-{[5-(aminomethyl)furan-2-yl]methyl}benzenesulfonamide

IUPAC name

N-{[5-(aminomethyl)furan-2-yl]methyl}benzenesulfonamide

SMILES

NCc1ccc(CNS(c2ccccc2)(=O)=O)o1

InChI

InChI=1S/C12H14N2O3S/c13-8-10-6-7-11(17-10)9-14-18(15,16)12-4-2-1-3-5-12/h1-7,14H,8-9,13H2

InChI Key

HUFIZMCNXGEKHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09062989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.943

Distribution Coefficient, logD

-1.566

Water Solubility, LogSw

-2.15

Polar Surface Area

70.669

Acid Dissociation Constant (pKa)

10.58

Base Dissociation Constant (pKb)

9.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8018-9114 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8018-9114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9114?
Check Price and Availability of 8018-9114, 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 8018-9114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9114
  • 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 8018-9114 available by request