K788-3982 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide

K788-3982 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
K788-3982 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-3982
N-[2-(3,4-diethoxyphenyl)ethyl]-6-[(4-ethoxyphenyl)sulfamoyl]-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

K788-3982

Molecular Formula

C30H33N3O7S (C30 H33 N3 O7 S)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-14-dihydroquinoline-3-carboxamide

SMILES

CCOc(cc1)ccc1NS(c(cc1)cc2c1NC=C(C(NCCc(cc1)cc(OCC)c1OCC)=O)C2=O)(=O)=O

InChI

InChI=1S/C30H33N3O7S/c1-4-38-22-10-8-21(9-11-22)33-41(36,37)23-12-13-26-24(18-23)29(34)25(19-32-26)30(35)31-16-15-20-7-14-27(39-5-2)28(17-20)40-6-3/h7-14,17-19,33H,4-6,15-16H2,1-3H3,(H,31,35)(H,32,34)

InChI Key

YYUKAMONXBIDMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15104783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

579.67

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.472

Distribution Coefficient, logD

2.411

Water Solubility, LogSw

-3.89

Polar Surface Area

110.806

Acid Dissociation Constant (pKa)

6.38

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

K788-3982 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K788-3982 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-3982?
Check Price and Availability of K788-3982, 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 K788-3982 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-3982
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-3982
  • 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 K788-3982 available by request