K828-0064 Screening compound: N-[(furan-2-yl)methyl]-4-oxo-N-[(oxolan-2-yl)methyl]-6-[phenyl(prop-2-en-1-yl)sulfamoyl]-1,4-dihydroquinoline-3-carboxamide

K828-0064 Screening compound: N-[(furan-2-yl)methyl]-4-oxo-N-[(oxolan-2-yl)methyl]-6-[phenyl(prop-2-en-1-yl)sulfamoyl]-1,4-dihydroquinoline-3-carboxamide
K828-0064 Screening compound: N-[(furan-2-yl)methyl]-4-oxo-N-[(oxolan-2-yl)methyl]-6-[phenyl(prop-2-en-1-yl)sulfamoyl]-1,4-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K828-0064
N-[(furan-2-yl)methyl]-4-oxo-N-[(oxolan-2-yl)methyl]-6-[phenyl(prop-2-en-1-yl)sulfamoyl]-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

K828-0064

Molecular Formula

C29H29N3O6S (C29 H29 N3 O6 S)

Compound Name

N-[(furan-2-yl)methyl]-4-oxo-N-[(oxolan-2-yl)methyl]-6-[phenyl(prop-2-en-1-yl)sulfamoyl]-1,4-dihydroquinoline-3-carboxamide

IUPAC name

N-[(furan-2-yl)methyl]-4-oxo-N-[(oxolan-2-yl)methyl]-6-[phenyl(prop-2-en-1-yl)sulfamoyl]-14-dihydroquinoline-3-carboxamide

SMILES

C=CCN(c1ccccc1)S(c(cc1)cc2c1NC=C(C(N(CC1OCCC1)Cc1ccco1)=O)C2=O)(=O)=O

InChI

InChI=1S/C29H29N3O6S/c1-2-14-32(21-8-4-3-5-9-21)39(35,36)24-12-13-27-25(17-24)28(33)26(18-30-27)29(34)31(19-22-10-6-15-37-22)20-23-11-7-16-38-23/h2-6,8-10,12-13,15,17-18,23H,1,7,11,14,16,19-20H2,(H,30,33)/t23-/m1/s1

InChI Key

JYYCZNCPJZTSGV-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD05716105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.574

Distribution Coefficient, logD

2.250

Water Solubility, LogSw

-3.91

Polar Surface Area

88.504

Acid Dissociation Constant (pKa)

6.10

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

K828-0064 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

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

CORONAVIRUS Library (20774 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K828-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K828-0064?
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What is the minimum amount of K828-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K828-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K828-0064
  • 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 K828-0064 available by request