K788-3980 Screening compound: N-[3-(butylsulfanyl)propyl]-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide

K788-3980 Screening compound: N-[3-(butylsulfanyl)propyl]-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
K788-3980 Screening compound: N-[3-(butylsulfanyl)propyl]-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-3980
N-[3-(butylsulfanyl)propyl]-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

K788-3980

Molecular Formula

C25H31N3O5S2 (C25 H31 N3 O5 S2)

Compound Name

N-[3-(butylsulfanyl)propyl]-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide

IUPAC name

N-[3-(butylsulfanyl)propyl]-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-14-dihydroquinoline-3-carboxamide

SMILES

CCCCSCCCNC(C1=CNc(ccc(S(Nc(cc2)ccc2OCC)(=O)=O)c2)c2C1=O)=O

InChI

InChI=1S/C25H31N3O5S2/c1-3-5-14-34-15-6-13-26-25(30)22-17-27-23-12-11-20(16-21(23)24(22)29)35(31,32)28-18-7-9-19(10-8-18)33-4-2/h7-12,16-17,28H,3-6,13-15H2,1-2H3,(H,26,30)(H,27,29)

InChI Key

BIVGXYVZCIUIKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15104781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.67

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.996

Distribution Coefficient, logD

2.935

Water Solubility, LogSw

-4.18

Polar Surface Area

96.657

Acid Dissociation Constant (pKa)

6.38

Base Dissociation Constant (pKb)

0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

K788-3980 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K788-3980 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-3980?
Check Price and Availability of K788-3980, 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 K788-3980 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-3980
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-3980
  • 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 K788-3980 available by request