4358-5666 Screening compound: N-{4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}-3-oxo-3H-benzo[f]chromene-2-carboxamide

4358-5666 Screening compound: N-{4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}-3-oxo-3H-benzo[f]chromene-2-carboxamide
4358-5666 Screening compound: N-{4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}-3-oxo-3H-benzo[f]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-5666
N-{4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}-3-oxo-3H-benzo[f]chromene-2-carboxamide

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

4358-5666

Molecular Formula

C25H18N4O6S (C25 H18 N4 O6 S)

Compound Name

N-{4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}-3-oxo-3H-benzo[f]chromene-2-carboxamide

IUPAC name

N-{4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}-3-oxo-3H-benzo[f]chromene-2-carboxamide

SMILES

COc1nccnc1NS(c(cc1)ccc1NC(C1=Cc(c2ccccc2cc2)c2OC1=O)=O)(=O)=O

InChI

InChI=1S/C25H18N4O6S/c1-34-24-22(26-12-13-27-24)29-36(32,33)17-9-7-16(8-10-17)28-23(30)20-14-19-18-5-3-2-4-15(18)6-11-21(19)35-25(20)31/h2-14H,1H3,(H,26,29)(H,28,30)

InChI Key

GCDFOGJWQZGIJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02370167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.790

Distribution Coefficient, logD

2.289

Water Solubility, LogSw

-4.00

Polar Surface Area

111.666

Acid Dissociation Constant (pKa)

5.91

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

4358-5666 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4358-5666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-5666?
Check Price and Availability of 4358-5666, 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 4358-5666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-5666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-5666
  • 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 4358-5666 available by request