C301-4181 Screening compound: 5-bromo-N-[4-(methylamino)-2-oxo-2H-chromen-3-yl]thiophene-2-sulfonamide

C301-4181 Screening compound: 5-bromo-N-[4-(methylamino)-2-oxo-2H-chromen-3-yl]thiophene-2-sulfonamide
C301-4181 Screening compound: 5-bromo-N-[4-(methylamino)-2-oxo-2H-chromen-3-yl]thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-4181
5-bromo-N-[4-(methylamino)-2-oxo-2H-chromen-3-yl]thiophene-2-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

C301-4181

Molecular Formula

C14H11BrN2O4S2 (C14 H11 BrN2 O4 S2)

Compound Name

5-bromo-N-[4-(methylamino)-2-oxo-2H-chromen-3-yl]thiophene-2-sulfonamide

IUPAC name

5-bromo-N-[4-(methylamino)-2-oxo-2H-chromen-3-yl]thiophene-2-sulfonamide

SMILES

CNC(c(cccc1)c1OC1=O)=C1NS(c(s1)ccc1Br)(=O)=O

InChI

InChI=1S/C14H11BrN2O4S2/c1-16-12-8-4-2-3-5-9(8)21-14(18)13(12)17-23(19,20)11-7-6-10(15)22-11/h2-7,16-17H,1H3

InChI Key

OHKPEFIFRQBZAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09697012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.497

Distribution Coefficient, logD

-1.565

Water Solubility, LogSw

-3.01

Polar Surface Area

73.883

Acid Dissociation Constant (pKa)

3.34

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

C301-4181 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C301-4181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-4181?
Check Price and Availability of C301-4181, 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 C301-4181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-4181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-4181
  • 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 C301-4181 available by request