C301-4125 Screening compound: 4-cyclohexyl-N-[4-(methylamino)-2-oxo-2H-chromen-3-yl]benzene-1-sulfonamide

C301-4125 Screening compound: 4-cyclohexyl-N-[4-(methylamino)-2-oxo-2H-chromen-3-yl]benzene-1-sulfonamide
C301-4125 Screening compound: 4-cyclohexyl-N-[4-(methylamino)-2-oxo-2H-chromen-3-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-4125
4-cyclohexyl-N-[4-(methylamino)-2-oxo-2H-chromen-3-yl]benzene-1-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

C301-4125

Molecular Formula

C22H24N2O4S (C22 H24 N2 O4 S)

Compound Name

4-cyclohexyl-N-[4-(methylamino)-2-oxo-2H-chromen-3-yl]benzene-1-sulfonamide

IUPAC name

4-cyclohexyl-N-[4-(methylamino)-2-oxo-2H-chromen-3-yl]benzene-1-sulfonamide

SMILES

CNC(c(cccc1)c1OC1=O)=C1NS(c1ccc(C2CCCCC2)cc1)(=O)=O

InChI

InChI=1S/C22H24N2O4S/c1-23-20-18-9-5-6-10-19(18)28-22(25)21(20)24-29(26,27)17-13-11-16(12-14-17)15-7-3-2-4-8-15/h5-6,9-15,23-24H,2-4,7-8H2,1H3

InChI Key

NUVMCTMFFZMFDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09697009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.156

Distribution Coefficient, logD

-0.502

Water Solubility, LogSw

-4.48

Polar Surface Area

72.785

Acid Dissociation Constant (pKa)

2.74

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C301-4125 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with C301-4125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-4125?
Check Price and Availability of C301-4125, 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 C301-4125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-4125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-4125
  • 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 C301-4125 available by request