8412-2061 Screening compound: 1-(4-methoxy-2,5-dimethylbenzenesulfonyl)-1H-imidazole

8412-2061 Screening compound: 1-(4-methoxy-2,5-dimethylbenzenesulfonyl)-1H-imidazole
8412-2061 Screening compound: 1-(4-methoxy-2,5-dimethylbenzenesulfonyl)-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8412-2061
1-(4-methoxy-2,5-dimethylbenzenesulfonyl)-1H-imidazole

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

8412-2061

Molecular Formula

C12H14N2O3S (C12 H14 N2 O3 S)

Compound Name

1-(4-methoxy-2,5-dimethylbenzenesulfonyl)-1H-imidazole

IUPAC name

1-(4-methoxy-25-dimethylbenzenesulfonyl)-1H-imidazole

SMILES

Cc1cc(S(n2cncc2)(=O)=O)c(C)cc1OC

InChI

InChI=1S/C12H14N2O3S/c1-9-7-12(10(2)6-11(9)17-3)18(15,16)14-5-4-13-8-14/h4-8H,1-3H3

InChI Key

WGCAISNIDDTFSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06763260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.730

Distribution Coefficient, logD

1.730

Water Solubility, LogSw

-1.64

Polar Surface Area

48.554

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8412-2061 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8412-2061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8412-2061?
Check Price and Availability of 8412-2061, 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 8412-2061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8412-2061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8412-2061
  • 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 8412-2061 available by request