K788-0975 Screening compound: N-benzyl-N-methyl-4-oxo-6-{[3-(trifluoromethyl)phenyl]sulfamoyl}-1,4-dihydroquinoline-3-carboxamide

K788-0975 Screening compound: N-benzyl-N-methyl-4-oxo-6-{[3-(trifluoromethyl)phenyl]sulfamoyl}-1,4-dihydroquinoline-3-carboxamide
K788-0975 Screening compound: N-benzyl-N-methyl-4-oxo-6-{[3-(trifluoromethyl)phenyl]sulfamoyl}-1,4-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-0975
N-benzyl-N-methyl-4-oxo-6-{[3-(trifluoromethyl)phenyl]sulfamoyl}-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

K788-0975

Molecular Formula

C25H20F3N3O4S (C25 H20 F3 N3 O4 S)

Compound Name

N-benzyl-N-methyl-4-oxo-6-{[3-(trifluoromethyl)phenyl]sulfamoyl}-1,4-dihydroquinoline-3-carboxamide

IUPAC name

N-benzyl-N-methyl-4-oxo-6-{[3-(trifluoromethyl)phenyl]sulfamoyl}-14-dihydroquinoline-3-carboxamide

SMILES

CN(Cc1ccccc1)C(C1=CNc(ccc(S(Nc2cc(C(F)(F)F)ccc2)(=O)=O)c2)c2C1=O)=O

InChI

InChI=1S/C25H20F3N3O4S/c1-31(15-16-6-3-2-4-7-16)24(33)21-14-29-22-11-10-19(13-20(22)23(21)32)36(34,35)30-18-9-5-8-17(12-18)25(26,27)28/h2-14,30H,15H2,1H3,(H,29,32)

InChI Key

FZTHXHPXUUGSBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15102792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.550

Distribution Coefficient, logD

3.227

Water Solubility, LogSw

-4.45

Polar Surface Area

81.158

Acid Dissociation Constant (pKa)

6.10

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

K788-0975 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K788-0975 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-0975?
Check Price and Availability of K788-0975, 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 K788-0975 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-0975
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-0975
  • 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 K788-0975 available by request