G404-0486 Screening compound: ethyl 4-(1-methyl-1H-imidazole-4-sulfonamido)benzoate

G404-0486 Screening compound: ethyl 4-(1-methyl-1H-imidazole-4-sulfonamido)benzoate
G404-0486 Screening compound: ethyl 4-(1-methyl-1H-imidazole-4-sulfonamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G404-0486
ethyl 4-(1-methyl-1H-imidazole-4-sulfonamido)benzoate

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

G404-0486

Molecular Formula

C13H15N3O4S (C13 H15 N3 O4 S)

Compound Name

ethyl 4-(1-methyl-1H-imidazole-4-sulfonamido)benzoate

IUPAC name

ethyl 4-(1-methyl-1H-imidazole-4-sulfonamido)benzoate

SMILES

CCOC(c(cc1)ccc1NS(c1cn(C)cn1)(=O)=O)=O

InChI

InChI=1S/C13H15N3O4S/c1-3-20-13(17)10-4-6-11(7-5-10)15-21(18,19)12-8-16(2)9-14-12/h4-9,15H,3H2,1-2H3

InChI Key

JKQJNOQDMDOCOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15009590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.840

Distribution Coefficient, logD

1.799

Water Solubility, LogSw

-2.49

Polar Surface Area

74.053

Acid Dissociation Constant (pKa)

8.41

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

G404-0486 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G404-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G404-0486?
Check Price and Availability of G404-0486, 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 G404-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G404-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G404-0486
  • 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 G404-0486 available by request