K828-0317 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide

K828-0317 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
K828-0317 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K828-0317
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-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

K828-0317

Molecular Formula

C27H33N3O6S (C27 H33 N3 O6 S)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-6-[(35-dimethylpiperidin-1-yl)sulfonyl]-4-oxo-14-dihydroquinoline-3-carboxamide

SMILES

CC(CC(C)C1)CN1S(c(cc1)cc2c1NC=C(C(NCCc(cc1)cc(OC)c1OC)=O)C2=O)(=O)=O

InChI

InChI=1S/C27H33N3O6S/c1-17-11-18(2)16-30(15-17)37(33,34)20-6-7-23-21(13-20)26(31)22(14-29-23)27(32)28-10-9-19-5-8-24(35-3)25(12-19)36-4/h5-8,12-14,17-18H,9-11,15-16H2,1-4H3,(H,28,32)(H,29,31)

InChI Key

KHQXEFDDNLLYGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15109868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.64

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.988

Distribution Coefficient, logD

1.498

Water Solubility, LogSw

-3.66

Polar Surface Area

95.451

Acid Dissociation Constant (pKa)

5.92

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.70

K828-0317 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with K828-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K828-0317?
Check Price and Availability of K828-0317, 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 K828-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K828-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K828-0317
  • 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 K828-0317 available by request