F978-0221 Screening compound: ethyl 2-[4-({4-[1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperazine-1-carbonyl}amino)phenyl]acetate

F978-0221 Screening compound: ethyl 2-[4-({4-[1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperazine-1-carbonyl}amino)phenyl]acetate
F978-0221 Screening compound: ethyl 2-[4-({4-[1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperazine-1-carbonyl}amino)phenyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound F978-0221
ethyl 2-[4-({4-[1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperazine-1-carbonyl}amino)phenyl]acetate

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

F978-0221

Molecular Formula

C25H26FN5O4 (C25 H26 FN5 O4)

Compound Name

ethyl 2-[4-({4-[1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperazine-1-carbonyl}amino)phenyl]acetate

IUPAC name

ethyl 2-[4-({4-[1-(4-fluorophenyl)-6-oxo-16-dihydropyridazin-3-yl]piperazine-1-carbonyl}amino)phenyl]acetate

SMILES

CCOC(Cc(cc1)ccc1NC(N(CC1)CCN1C(C=C1)=NN(c(cc2)ccc2F)C1=O)=O)=O

InChI

InChI=1S/C25H26FN5O4/c1-2-35-24(33)17-18-3-7-20(8-4-18)27-25(34)30-15-13-29(14-16-30)22-11-12-23(32)31(28-22)21-9-5-19(26)6-10-21/h3-12H,2,13-17H2,1H3,(H,27,34)

InChI Key

SMANWKGUBKASNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14973680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.720

Distribution Coefficient, logD

2.720

Water Solubility, LogSw

-3.21

Polar Surface Area

76.141

Acid Dissociation Constant (pKa)

14.16

Base Dissociation Constant (pKb)

3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

F978-0221 in Drug Discovery

Included in Screening Libraries

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

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with F978-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F978-0221?
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What is the minimum amount of F978-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F978-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F978-0221
  • 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 F978-0221 available by request