G678-0554 Screening compound: N-(2-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}ethyl)-4-oxo-4H-chromene-2-carboxamide

G678-0554 Screening compound: N-(2-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}ethyl)-4-oxo-4H-chromene-2-carboxamide
G678-0554 Screening compound: N-(2-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}ethyl)-4-oxo-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G678-0554
N-(2-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}ethyl)-4-oxo-4H-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

G678-0554

Molecular Formula

C23H25N3O6S (C23 H25 N3 O6 S)

Compound Name

N-(2-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}ethyl)-4-oxo-4H-chromene-2-carboxamide

IUPAC name

N-(2-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}ethyl)-4-oxo-4H-chromene-2-carboxamide

SMILES

COc(cccc1)c1N(CC1)CCN1S(CCNC(C(Oc1c2cccc1)=CC2=O)=O)(=O)=O

InChI

InChI=1S/C23H25N3O6S/c1-31-21-9-5-3-7-18(21)25-11-13-26(14-12-25)33(29,30)15-10-24-23(28)22-16-19(27)17-6-2-4-8-20(17)32-22/h2-9,16H,10-15H2,1H3,(H,24,28)

InChI Key

JSJRNWPZPOOJTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08319691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.774

Distribution Coefficient, logD

1.774

Water Solubility, LogSw

-2.63

Polar Surface Area

88.778

Acid Dissociation Constant (pKa)

13.48

Base Dissociation Constant (pKb)

5.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

G678-0554 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

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

Dark Chemical Matter Library (18430 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

References: we are preparing a list of scientific research reports with G678-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G678-0554?
Check Price and Availability of G678-0554, 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 G678-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G678-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G678-0554
  • 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 G678-0554 available by request