G411-0066 Screening compound: 3-cyano-N-[4-(cyclohexylamino)-2-oxo-2H-chromen-3-yl]benzene-1-sulfonamide

G411-0066 Screening compound: 3-cyano-N-[4-(cyclohexylamino)-2-oxo-2H-chromen-3-yl]benzene-1-sulfonamide
G411-0066 Screening compound: 3-cyano-N-[4-(cyclohexylamino)-2-oxo-2H-chromen-3-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G411-0066
3-cyano-N-[4-(cyclohexylamino)-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

G411-0066

Molecular Formula

C22H21N3O4S (C22 H21 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

N#Cc1cccc(S(NC(C(Oc2c3cccc2)=O)=C3NC2CCCCC2)(=O)=O)c1

InChI

InChI=1S/C22H21N3O4S/c23-14-15-7-6-10-17(13-15)30(27,28)25-21-20(24-16-8-2-1-3-9-16)18-11-4-5-12-19(18)29-22(21)26/h4-7,10-13,16,24-25H,1-3,8-9H2

InChI Key

SZFCLUGOAATFFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15010452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.344

Distribution Coefficient, logD

-1.272

Water Solubility, LogSw

-4.03

Polar Surface Area

89.224

Acid Dissociation Constant (pKa)

2.78

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

G411-0066 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 G411-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G411-0066?
Check Price and Availability of G411-0066, 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 G411-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G411-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G411-0066
  • 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 G411-0066 available by request