K788-4711 Screening compound: N-benzyl-6-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide

K788-4711 Screening compound: N-benzyl-6-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
K788-4711 Screening compound: N-benzyl-6-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-4711
N-benzyl-6-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]-4-oxo-1,4-dihydroquinoline-3-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

K788-4711

Molecular Formula

C25H21N3O6S (C25 H21 N3 O6 S)

Compound Name

N-benzyl-6-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide

IUPAC name

N-benzyl-6-[(23-dihydro-14-benzodioxin-6-yl)sulfamoyl]-4-oxo-14-dihydroquinoline-3-carboxamide

SMILES

O=C(C1=CNc(ccc(S(Nc(cc2)cc3c2OCCO3)(=O)=O)c2)c2C1=O)NCc1ccccc1

InChI

InChI=1S/C25H21N3O6S/c29-24-19-13-18(35(31,32)28-17-6-9-22-23(12-17)34-11-10-33-22)7-8-21(19)26-15-20(24)25(30)27-14-16-4-2-1-3-5-16/h1-9,12-13,15,28H,10-11,14H2,(H,26,29)(H,27,30)

InChI Key

VXOBVITXXIYHST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.101

Distribution Coefficient, logD

1.268

Water Solubility, LogSw

-3.22

Polar Surface Area

105.244

Acid Dissociation Constant (pKa)

6.64

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

K788-4711 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K788-4711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-4711?
Check Price and Availability of K788-4711, 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 K788-4711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-4711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-4711
  • 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 K788-4711 available by request