4349-0047 Screening compound: 1-ethyl-6-fluoro-N'-[(E)-(2-nitrophenyl)methylidene]-4-oxo-7-(pyrrolidin-1-yl)-1,4-dihydroquinoline-3-carbohydrazide

4349-0047 Screening compound: 1-ethyl-6-fluoro-N'-[(E)-(2-nitrophenyl)methylidene]-4-oxo-7-(pyrrolidin-1-yl)-1,4-dihydroquinoline-3-carbohydrazide
4349-0047 Screening compound: 1-ethyl-6-fluoro-N'-[(E)-(2-nitrophenyl)methylidene]-4-oxo-7-(pyrrolidin-1-yl)-1,4-dihydroquinoline-3-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4349-0047
1-ethyl-6-fluoro-N'-[(E)-(2-nitrophenyl)methylidene]-4-oxo-7-(pyrrolidin-1-yl)-1,4-dihydroquinoline-3-carbohydrazide

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

4349-0047

Molecular Formula

C23H22FN5O4 (C23 H22 FN5 O4)

Compound Name

1-ethyl-6-fluoro-N'-[(E)-(2-nitrophenyl)methylidene]-4-oxo-7-(pyrrolidin-1-yl)-1,4-dihydroquinoline-3-carbohydrazide

IUPAC name

1-ethyl-6-fluoro-N'-[(E)-(2-nitrophenyl)methylidene]-4-oxo-7-(pyrrolidin-1-yl)-14-dihydroquinoline-3-carbohydrazide

SMILES

CCN(C=C(C(N/N=C/c(cccc1)c1[N+]([O-])=O)=O)C(c1c2)=O)c1cc(N1CCCC1)c2F

InChI

InChI=1S/C23H22FN5O4/c1-2-27-14-17(23(31)26-25-13-15-7-3-4-8-19(15)29(32)33)22(30)16-11-18(24)21(12-20(16)27)28-9-5-6-10-28/h3-4,7-8,11-14H,2,5-6,9-10H2,1H3,(H,26,31)

InChI Key

HMHBTFRWEFWRAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01056225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.635

Distribution Coefficient, logD

3.193

Water Solubility, LogSw

-4.04

Polar Surface Area

87.473

Acid Dissociation Constant (pKa)

7.15

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with 4349-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4349-0047?
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What is the minimum amount of 4349-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4349-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4349-0047
  • 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 4349-0047 available by request