K788-0965 Screening compound: ethyl 1-(4-oxo-6-{[3-(trifluoromethyl)phenyl]sulfamoyl}-1,4-dihydroquinoline-3-carbonyl)piperidine-3-carboxylate

K788-0965 Screening compound: ethyl 1-(4-oxo-6-{[3-(trifluoromethyl)phenyl]sulfamoyl}-1,4-dihydroquinoline-3-carbonyl)piperidine-3-carboxylate
K788-0965 Screening compound: ethyl 1-(4-oxo-6-{[3-(trifluoromethyl)phenyl]sulfamoyl}-1,4-dihydroquinoline-3-carbonyl)piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-0965
ethyl 1-(4-oxo-6-{[3-(trifluoromethyl)phenyl]sulfamoyl}-1,4-dihydroquinoline-3-carbonyl)piperidine-3-carboxylate

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

K788-0965

Molecular Formula

C25H24F3N3O6S (C25 H24 F3 N3 O6 S)

Compound Name

ethyl 1-(4-oxo-6-{[3-(trifluoromethyl)phenyl]sulfamoyl}-1,4-dihydroquinoline-3-carbonyl)piperidine-3-carboxylate

IUPAC name

ethyl 1-(4-oxo-6-{[3-(trifluoromethyl)phenyl]sulfamoyl}-14-dihydroquinoline-3-carbonyl)piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(C1=CNc(ccc(S(Nc2cc(C(F)(F)F)ccc2)(=O)=O)c2)c2C1=O)=O)=O

InChI

InChI=1S/C25H24F3N3O6S/c1-2-37-24(34)15-5-4-10-31(14-15)23(33)20-13-29-21-9-8-18(12-19(21)22(20)32)38(35,36)30-17-7-3-6-16(11-17)25(26,27)28/h3,6-9,11-13,15,30H,2,4-5,10,14H2,1H3,(H,29,32)/t15-/m0/s1

InChI Key

VFXRYKKXXJCAAW-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD15102782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.761

Distribution Coefficient, logD

2.190

Water Solubility, LogSw

-4.00

Polar Surface Area

102.343

Acid Dissociation Constant (pKa)

5.84

Base Dissociation Constant (pKb)

-1.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with K788-0965 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-0965?
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What is the minimum amount of K788-0965 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-0965
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-0965
  • 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 K788-0965 available by request