8014-1701 Screening compound: 4-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-(propan-2-yl)benzene-1-sulfonamide

8014-1701 Screening compound: 4-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-(propan-2-yl)benzene-1-sulfonamide
8014-1701 Screening compound: 4-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-(propan-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1701
4-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-(propan-2-yl)benzene-1-sulfonamide

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

8014-1701

Molecular Formula

C15H21N3O2S (C15 H21 N3 O2 S)

Compound Name

4-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-(propan-2-yl)benzene-1-sulfonamide

IUPAC name

4-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-(propan-2-yl)benzene-1-sulfonamide

SMILES

CC(C)N(Cc1nccn1C)S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C15H21N3O2S/c1-12(2)18(11-15-16-9-10-17(15)4)21(19,20)14-7-5-13(3)6-8-14/h5-10,12H,11H2,1-4H3

InChI Key

MWSRVHBARYSDCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767904

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

307.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.266

Distribution Coefficient, logD

1.283

Water Solubility, LogSw

-2.58

Polar Surface Area

45.709

Acid Dissociation Constant (pKa)

25.15

Base Dissociation Constant (pKb)

8.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8014-1701 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Ion Channels Focused Library (26372 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8014-1701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1701?
Check Price and Availability of 8014-1701, 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 8014-1701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1701
  • 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 8014-1701 available by request