8017-0961 Screening compound: 1-ethyl-6-fluoro-7-(morpholin-4-yl)-3-nitro-1,4-dihydroquinolin-4-one

8017-0961 Screening compound: 1-ethyl-6-fluoro-7-(morpholin-4-yl)-3-nitro-1,4-dihydroquinolin-4-one
8017-0961 Screening compound: 1-ethyl-6-fluoro-7-(morpholin-4-yl)-3-nitro-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0961
1-ethyl-6-fluoro-7-(morpholin-4-yl)-3-nitro-1,4-dihydroquinolin-4-one

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

8017-0961

Molecular Formula

C15H16FN3O4 (C15 H16 FN3 O4)

Compound Name

1-ethyl-6-fluoro-7-(morpholin-4-yl)-3-nitro-1,4-dihydroquinolin-4-one

IUPAC name

1-ethyl-6-fluoro-7-(morpholin-4-yl)-3-nitro-14-dihydroquinolin-4-one

SMILES

CCN(C=C(C(c1c2)=O)[N+]([O-])=O)c1cc(N1CCOCC1)c2F

InChI

InChI=1S/C15H16FN3O4/c1-2-17-9-14(19(21)22)15(20)10-7-11(16)13(8-12(10)17)18-3-5-23-6-4-18/h7-9H,2-6H2,1H3

InChI Key

YYRWZOQBBZSROK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01415127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.589

Distribution Coefficient, logD

1.589

Water Solubility, LogSw

-2.09

Polar Surface Area

59.727

Acid Dissociation Constant (pKa)

28.26

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8017-0961 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8017-0961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0961?
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What is the minimum amount of 8017-0961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0961
  • 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 8017-0961 available by request