F980-0611 Screening compound: 2-phenyl-6-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]-2,3-dihydropyridazin-3-one

F980-0611 Screening compound: 2-phenyl-6-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]-2,3-dihydropyridazin-3-one
F980-0611 Screening compound: 2-phenyl-6-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F980-0611
2-phenyl-6-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]-2,3-dihydropyridazin-3-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

F980-0611

Molecular Formula

C27H32N4O5 (C27 H32 N4 O5)

Compound Name

2-phenyl-6-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]-2,3-dihydropyridazin-3-one

IUPAC name

2-phenyl-6-[4-(345-triethoxybenzoyl)piperazin-1-yl]-23-dihydropyridazin-3-one

SMILES

CCOc1cc(C(N(CC2)CCN2C(C=C2)=NN(c3ccccc3)C2=O)=O)cc(OCC)c1OCC

InChI

InChI=1S/C27H32N4O5/c1-4-34-22-18-20(19-23(35-5-2)26(22)36-6-3)27(33)30-16-14-29(15-17-30)24-12-13-25(32)31(28-24)21-10-8-7-9-11-21/h7-13,18-19H,4-6,14-17H2,1-3H3

InChI Key

UUDINUPDSFELKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27207075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.828

Distribution Coefficient, logD

2.828

Water Solubility, LogSw

-3.33

Polar Surface Area

68.878

Acid Dissociation Constant (pKa)

29.11

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

F980-0611 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 F980-0611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F980-0611?
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What is the minimum amount of F980-0611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F980-0611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F980-0611
  • 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 F980-0611 available by request