C696-0855 Screening compound: N-(2-fluorophenyl)-2-{1-oxo-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-propylacetamide

C696-0855 Screening compound: N-(2-fluorophenyl)-2-{1-oxo-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-propylacetamide
C696-0855 Screening compound: N-(2-fluorophenyl)-2-{1-oxo-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C696-0855
N-(2-fluorophenyl)-2-{1-oxo-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-propylacetamide

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

C696-0855

Molecular Formula

C25H23FN4O2 (C25 H23 FN4 O2)

Compound Name

N-(2-fluorophenyl)-2-{1-oxo-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-propylacetamide

IUPAC name

N-(2-fluorophenyl)-2-{1-oxo-4-[(pyridin-4-yl)methyl]-12-dihydrophthalazin-2-yl}-N-propylacetamide

SMILES

CCCN(C(CN1N=C(Cc2ccncc2)c(cccc2)c2C1=O)=O)c(cccc1)c1F

InChI

InChI=1S/C25H23FN4O2/c1-2-15-29(23-10-6-5-9-21(23)26)24(31)17-30-25(32)20-8-4-3-7-19(20)22(28-30)16-18-11-13-27-14-12-18/h3-14H,2,15-17H2,1H3

InChI Key

UGMCEHOZPSSBAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.915

Distribution Coefficient, logD

2.911

Water Solubility, LogSw

-3.31

Polar Surface Area

51.571

Acid Dissociation Constant (pKa)

16.49

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C696-0855 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C696-0855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C696-0855?
Check Price and Availability of C696-0855, 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 C696-0855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C696-0855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C696-0855
  • 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 C696-0855 available by request