V003-8461 Screening compound: ethyl 1-(3-{[5-(4-fluorophenoxy)-2-(4-fluorophenyl)-3-oxo-2,3-dihydropyridazin-4-yl]amino}benzoyl)piperidine-3-carboxylate

V003-8461 Screening compound: ethyl 1-(3-{[5-(4-fluorophenoxy)-2-(4-fluorophenyl)-3-oxo-2,3-dihydropyridazin-4-yl]amino}benzoyl)piperidine-3-carboxylate
V003-8461 Screening compound: ethyl 1-(3-{[5-(4-fluorophenoxy)-2-(4-fluorophenyl)-3-oxo-2,3-dihydropyridazin-4-yl]amino}benzoyl)piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-8461
ethyl 1-(3-{[5-(4-fluorophenoxy)-2-(4-fluorophenyl)-3-oxo-2,3-dihydropyridazin-4-yl]amino}benzoyl)piperidine-3-carboxylate

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

V003-8461

Molecular Formula

C31H28F2N4O5 (C31 H28 F2 N4 O5)

Compound Name

ethyl 1-(3-{[5-(4-fluorophenoxy)-2-(4-fluorophenyl)-3-oxo-2,3-dihydropyridazin-4-yl]amino}benzoyl)piperidine-3-carboxylate

IUPAC name

ethyl 1-(3-{[5-(4-fluorophenoxy)-2-(4-fluorophenyl)-3-oxo-23-dihydropyridazin-4-yl]amino}benzoyl)piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(c1cccc(NC(C(N(c(cc2)ccc2F)N=C2)=O)=C2Oc(cc2)ccc2F)c1)=O)=O

InChI

InChI=1S/C31H28F2N4O5/c1-2-41-31(40)21-6-4-16-36(19-21)29(38)20-5-3-7-24(17-20)35-28-27(42-26-14-10-23(33)11-15-26)18-34-37(30(28)39)25-12-8-22(32)9-13-25/h3,5,7-15,17-18,21,35H,2,4,6,16,19H2,1H3/t21-/m0/s1

InChI Key

CWJYXRNJWLNRTM-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19835691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.576

Distribution Coefficient, logD

4.568

Water Solubility, LogSw

-4.35

Polar Surface Area

80.652

Acid Dissociation Constant (pKa)

11.90

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.60

References: we are preparing a list of scientific research reports with V003-8461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-8461?
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What is the minimum amount of V003-8461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-8461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-8461
  • 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 V003-8461 available by request