K788-4714 Screening compound: 6-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]-N-[(furan-2-yl)methyl]-N-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide

K788-4714 Screening compound: 6-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]-N-[(furan-2-yl)methyl]-N-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
K788-4714 Screening compound: 6-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]-N-[(furan-2-yl)methyl]-N-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-4714
6-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]-N-[(furan-2-yl)methyl]-N-methyl-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

K788-4714

Molecular Formula

C24H21N3O7S (C24 H21 N3 O7 S)

Compound Name

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

IUPAC name

6-[(23-dihydro-14-benzodioxin-6-yl)sulfamoyl]-N-[(furan-2-yl)methyl]-N-methyl-4-oxo-14-dihydroquinoline-3-carboxamide

SMILES

CN(Cc1ccco1)C(C1=CNc(ccc(S(Nc(cc2)cc3c2OCCO3)(=O)=O)c2)c2C1=O)=O

InChI

InChI=1S/C24H21N3O7S/c1-27(14-16-3-2-8-32-16)24(29)19-13-25-20-6-5-17(12-18(20)23(19)28)35(30,31)26-15-4-7-21-22(11-15)34-10-9-33-21/h2-8,11-13,26H,9-10,14H2,1H3,(H,25,28)

InChI Key

GJXZPITVJWGLGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.686

Distribution Coefficient, logD

0.363

Water Solubility, LogSw

-2.91

Polar Surface Area

104.730

Acid Dissociation Constant (pKa)

6.10

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

K788-4714 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K788-4714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-4714?
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What is the minimum amount of K788-4714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-4714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-4714
  • 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 K788-4714 available by request