K828-0307 Screening compound: N-[2-(1-cyclohexenyl)ethyl]-6-[(3,5-dimethylpiperidino)sulfonyl]-4-oxo-1,4-dihydro-3-quinolinecarboxamide

K828-0307 Screening compound: N-[2-(1-cyclohexenyl)ethyl]-6-[(3,5-dimethylpiperidino)sulfonyl]-4-oxo-1,4-dihydro-3-quinolinecarboxamide
K828-0307 Screening compound: N-[2-(1-cyclohexenyl)ethyl]-6-[(3,5-dimethylpiperidino)sulfonyl]-4-oxo-1,4-dihydro-3-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K828-0307
N-[2-(1-cyclohexenyl)ethyl]-6-[(3,5-dimethylpiperidino)sulfonyl]-4-oxo-1,4-dihydro-3-quinolinecarboxamide

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

K828-0307

Molecular Formula

C25H33N3O4S (C25 H33 N3 O4 S)

Compound Name

N-[2-(1-cyclohexenyl)ethyl]-6-[(3,5-dimethylpiperidino)sulfonyl]-4-oxo-1,4-dihydro-3-quinolinecarboxamide

IUPAC name

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

SMILES

CC(CC(C)C1)CN1S(c(cc1)cc2c1NC=C(C(NCCC1=CCCCC1)=O)C2=O)(=O)=O

InChI

InChI=1S/C25H33N3O4S/c1-17-12-18(2)16-28(15-17)33(31,32)20-8-9-23-21(13-20)24(29)22(14-27-23)25(30)26-11-10-19-6-4-3-5-7-19/h6,8-9,13-14,17-18H,3-5,7,10-12,15-16H2,1-2H3,(H,26,30)(H,27,29)

InChI Key

NKXWRTJPPKVFEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15109864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.842

Distribution Coefficient, logD

2.351

Water Solubility, LogSw

-4.03

Polar Surface Area

80.383

Acid Dissociation Constant (pKa)

5.92

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.00

K828-0307 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K828-0307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K828-0307?
Check Price and Availability of K828-0307, 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 K828-0307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K828-0307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K828-0307
  • 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 K828-0307 available by request