8017-9401 Screening compound: 4-(3-fluorophenyl)-1-[(6-oxo-3-phenyl-1,6-dihydro-4-pyridazinyl)amino]-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione

8017-9401 Screening compound: 4-(3-fluorophenyl)-1-[(6-oxo-3-phenyl-1,6-dihydro-4-pyridazinyl)amino]-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione
8017-9401 Screening compound: 4-(3-fluorophenyl)-1-[(6-oxo-3-phenyl-1,6-dihydro-4-pyridazinyl)amino]-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9401
4-(3-fluorophenyl)-1-[(6-oxo-3-phenyl-1,6-dihydro-4-pyridazinyl)amino]-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione

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

8017-9401

Molecular Formula

C25H21FN4O3 (C25 H21 FN4 O3)

Compound Name

4-(3-fluorophenyl)-1-[(6-oxo-3-phenyl-1,6-dihydro-4-pyridazinyl)amino]-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione

IUPAC name

4-(3-fluorophenyl)-1-[(6-oxo-3-phenyl-16-dihydropyridazin-4-yl)amino]-12345678-octahydroquinoline-25-dione

SMILES

O=C(CCC1)C(C(CC2=O)c3cccc(F)c3)=C1N2NC(C(c1ccccc1)=NN1)=CC1=O

InChI

InChI=1S/C25H21FN4O3/c26-17-9-4-8-16(12-17)18-13-23(33)30(20-10-5-11-21(31)24(18)20)29-19-14-22(32)27-28-25(19)15-6-2-1-3-7-15/h1-4,6-9,12,14,18H,5,10-11,13H2,(H2,27,29,32)/t18-/m0/s1

InChI Key

BBXQMHJZOBJHSP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD06619377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.879

Distribution Coefficient, logD

2.778

Water Solubility, LogSw

-3.45

Polar Surface Area

78.718

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8017-9401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9401?
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What is the minimum amount of 8017-9401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9401
  • 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 8017-9401 available by request