V023-0833 Screening compound: ethyl 1-(3-{[5-(4-chloro-3-methylphenoxy)-2-(3-fluorophenyl)-3-oxo-2,3-dihydropyridazin-4-yl]amino}benzoyl)piperidine-3-carboxylate

V023-0833 Screening compound: ethyl 1-(3-{[5-(4-chloro-3-methylphenoxy)-2-(3-fluorophenyl)-3-oxo-2,3-dihydropyridazin-4-yl]amino}benzoyl)piperidine-3-carboxylate
V023-0833 Screening compound: ethyl 1-(3-{[5-(4-chloro-3-methylphenoxy)-2-(3-fluorophenyl)-3-oxo-2,3-dihydropyridazin-4-yl]amino}benzoyl)piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-0833
ethyl 1-(3-{[5-(4-chloro-3-methylphenoxy)-2-(3-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

V023-0833

Molecular Formula

C32H30ClFN4O5 (C32 H30 ClFN4 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(CCC1)CN1C(c1cccc(NC(C(N(c2cc(F)ccc2)N=C2)=O)=C2Oc(cc2)cc(C)c2Cl)c1)=O)=O

InChI

InChI=1S/C32H30ClFN4O5/c1-3-42-32(41)22-8-6-14-37(19-22)30(39)21-7-4-10-24(16-21)36-29-28(43-26-12-13-27(33)20(2)15-26)18-35-38(31(29)40)25-11-5-9-23(34)17-25/h4-5,7,9-13,15-18,22,36H,3,6,8,14,19H2,1-2H3/t22-/m0/s1

InChI Key

FMGWXXKJUQEAJO-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19836958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

605.07

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

5.791

Distribution Coefficient, logD

5.784

Water Solubility, LogSw

-6.02

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

25.00

V023-0833 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V023-0833 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-0833?
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What is the minimum amount of V023-0833 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-0833
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-0833
  • 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 V023-0833 available by request