8017-0958 Screening compound: 6,7,8-trifluoro-1-[3-fluoro-4-(1-pyrrolidinyl)phenyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

8017-0958 Screening compound: 6,7,8-trifluoro-1-[3-fluoro-4-(1-pyrrolidinyl)phenyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
8017-0958 Screening compound: 6,7,8-trifluoro-1-[3-fluoro-4-(1-pyrrolidinyl)phenyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0958
6,7,8-trifluoro-1-[3-fluoro-4-(1-pyrrolidinyl)phenyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

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

8017-0958

Molecular Formula

C20H14F4N2O3 (C20 H14 F4 N2 O3)

Compound Name

6,7,8-trifluoro-1-[3-fluoro-4-(1-pyrrolidinyl)phenyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

IUPAC name

678-trifluoro-1-[3-fluoro-4-(pyrrolidin-1-yl)phenyl]-4-oxo-14-dihydroquinoline-3-carboxylic acid

SMILES

OC(C1=CN(c(cc2)cc(F)c2N2CCCC2)c(c(F)c(c(F)c2)F)c2C1=O)=O

InChI

InChI=1S/C20H14F4N2O3/c21-13-7-10(3-4-15(13)25-5-1-2-6-25)26-9-12(20(28)29)19(27)11-8-14(22)16(23)17(24)18(11)26/h3-4,7-9H,1-2,5-6H2,(H,28,29)

InChI Key

HXOKIQCTQSFSFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02320323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.697

Distribution Coefficient, logD

-0.878

Water Solubility, LogSw

-3.11

Polar Surface Area

48.200

Acid Dissociation Constant (pKa)

3.83

Base Dissociation Constant (pKb)

8.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8017-0958 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8017-0958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0958?
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What is the minimum amount of 8017-0958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0958
  • 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 8017-0958 available by request