K692-0028 Screening compound: 6-[benzyl(methyl)sulfamoyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide

K692-0028 Screening compound: 6-[benzyl(methyl)sulfamoyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
K692-0028 Screening compound: 6-[benzyl(methyl)sulfamoyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K692-0028
6-[benzyl(methyl)sulfamoyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-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

K692-0028

Molecular Formula

C28H29N3O6S (C28 H29 N3 O6 S)

Compound Name

6-[benzyl(methyl)sulfamoyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide

IUPAC name

6-[benzyl(methyl)sulfamoyl]-N-[2-(34-dimethoxyphenyl)ethyl]-4-oxo-14-dihydroquinoline-3-carboxamide

SMILES

CN(Cc1ccccc1)S(c(cc1)cc2c1NC=C(C(NCCc(cc1)cc(OC)c1OC)=O)C2=O)(=O)=O

InChI

InChI=1S/C28H29N3O6S/c1-31(18-20-7-5-4-6-8-20)38(34,35)21-10-11-24-22(16-21)27(32)23(17-30-24)28(33)29-14-13-19-9-12-25(36-2)26(15-19)37-3/h4-12,15-17H,13-14,18H2,1-3H3,(H,29,33)(H,30,32)

InChI Key

LWWBUGYBLSIJHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.789

Distribution Coefficient, logD

1.298

Water Solubility, LogSw

-3.72

Polar Surface Area

96.438

Acid Dissociation Constant (pKa)

5.92

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

K692-0028 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K692-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K692-0028?
Check Price and Availability of K692-0028, 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 K692-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K692-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K692-0028
  • 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 K692-0028 available by request