K033-0108 Screening compound: 4-hydroxy-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,2-dihydroquinoline-3-carboxamide

K033-0108 Screening compound: 4-hydroxy-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,2-dihydroquinoline-3-carboxamide
K033-0108 Screening compound: 4-hydroxy-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,2-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K033-0108
4-hydroxy-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,2-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

K033-0108

Molecular Formula

C17H11F3N2O4 (C17 H11 F3 N2 O4)

Compound Name

4-hydroxy-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,2-dihydroquinoline-3-carboxamide

IUPAC name

4-hydroxy-2-oxo-N-[4-(trifluoromethoxy)phenyl]-12-dihydroquinoline-3-carboxamide

SMILES

OC(c(cccc1)c1N1)=C(C(Nc(cc2)ccc2OC(F)(F)F)=O)C1=O

InChI

InChI=1S/C17H11F3N2O4/c18-17(19,20)26-10-7-5-9(6-8-10)21-15(24)13-14(23)11-3-1-2-4-12(11)22-16(13)25/h1-8H,(H,21,24)(H2,22,23,25)

InChI Key

FFLGXWSATFAALD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01248419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.123

Distribution Coefficient, logD

-1.099

Water Solubility, LogSw

-3.74

Polar Surface Area

69.215

Acid Dissociation Constant (pKa)

3.18

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

K033-0108 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 K033-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K033-0108?
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What is the minimum amount of K033-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K033-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K033-0108
  • 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 K033-0108 available by request