G404-0537 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1H-imidazole-4-sulfonamide

G404-0537 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1H-imidazole-4-sulfonamide
G404-0537 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1H-imidazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G404-0537
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1H-imidazole-4-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

G404-0537

Molecular Formula

C12H13N3O4S (C12 H13 N3 O4 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1H-imidazole-4-sulfonamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-1-methyl-1H-imidazole-4-sulfonamide

SMILES

Cn1cnc(S(Nc(cc2)cc3c2OCCO3)(=O)=O)c1

InChI

InChI=1S/C12H13N3O4S/c1-15-7-12(13-8-15)20(16,17)14-9-2-3-10-11(6-9)19-5-4-18-10/h2-3,6-8,14H,4-5H2,1H3

InChI Key

NWCXUWPPSMGLFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02681274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.178

Distribution Coefficient, logD

0.161

Water Solubility, LogSw

-2.39

Polar Surface Area

69.122

Acid Dissociation Constant (pKa)

8.79

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G404-0537 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Pool
  • Fragments
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G404-0537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G404-0537?
Check Price and Availability of G404-0537, 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 G404-0537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G404-0537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G404-0537
  • 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 G404-0537 available by request