8412-2090 Screening compound: 1-(2,5-diethoxybenzenesulfonyl)-1H-imidazole

8412-2090 Screening compound: 1-(2,5-diethoxybenzenesulfonyl)-1H-imidazole
8412-2090 Screening compound: 1-(2,5-diethoxybenzenesulfonyl)-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8412-2090
1-(2,5-diethoxybenzenesulfonyl)-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

8412-2090

Molecular Formula

C13H16N2O4S (C13 H16 N2 O4 S)

Compound Name

1-(2,5-diethoxybenzenesulfonyl)-1H-imidazole

IUPAC name

1-(25-diethoxybenzenesulfonyl)-1H-imidazole

SMILES

CCOc(cc1)cc(S(n2cncc2)(=O)=O)c1OCC

InChI

InChI=1S/C13H16N2O4S/c1-3-18-11-5-6-12(19-4-2)13(9-11)20(16,17)15-8-7-14-10-15/h5-10H,3-4H2,1-2H3

InChI Key

YKOKIAYVNBIUGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01173200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.566

Distribution Coefficient, logD

1.566

Water Solubility, LogSw

-2.19

Polar Surface Area

55.258

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

8412-2090 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8412-2090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8412-2090?
Check Price and Availability of 8412-2090, 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 8412-2090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8412-2090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8412-2090
  • 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 8412-2090 available by request