F975-0197 Screening compound: ethyl 4-({4-[1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]-1,4-diazepane-1-carbonyl}amino)benzoate

F975-0197 Screening compound: ethyl 4-({4-[1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]-1,4-diazepane-1-carbonyl}amino)benzoate
F975-0197 Screening compound: ethyl 4-({4-[1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]-1,4-diazepane-1-carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F975-0197
ethyl 4-({4-[1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]-1,4-diazepane-1-carbonyl}amino)benzoate

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

F975-0197

Molecular Formula

C25H26FN5O4 (C25 H26 FN5 O4)

Compound Name

ethyl 4-({4-[1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]-1,4-diazepane-1-carbonyl}amino)benzoate

IUPAC name

ethyl 4-({4-[1-(4-fluorophenyl)-6-oxo-16-dihydropyridazin-3-yl]-14-diazepane-1-carbonyl}amino)benzoate

SMILES

CCOC(c(cc1)ccc1NC(N(CCC1)CCN1C(C=C1)=NN(c(cc2)ccc2F)C1=O)=O)=O

InChI

InChI=1S/C25H26FN5O4/c1-2-35-24(33)18-4-8-20(9-5-18)27-25(34)30-15-3-14-29(16-17-30)22-12-13-23(32)31(28-22)21-10-6-19(26)7-11-21/h4-13H,2-3,14-17H2,1H3,(H,27,34)

InChI Key

MBTBXTQSPFAZOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14973530

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

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.534

Distribution Coefficient, logD

3.533

Water Solubility, LogSw

-3.55

Polar Surface Area

77.067

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

F975-0197 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F975-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F975-0197?
Check Price and Availability of F975-0197, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F975-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F975-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F975-0197
  • 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 F975-0197 available by request