C696-0980 Screening compound: N-[2-(dimethylamino)ethyl]-N-[(furan-2-yl)methyl]-2-{1-oxo-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-2-yl}acetamide

C696-0980 Screening compound: N-[2-(dimethylamino)ethyl]-N-[(furan-2-yl)methyl]-2-{1-oxo-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-2-yl}acetamide
C696-0980 Screening compound: N-[2-(dimethylamino)ethyl]-N-[(furan-2-yl)methyl]-2-{1-oxo-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C696-0980
N-[2-(dimethylamino)ethyl]-N-[(furan-2-yl)methyl]-2-{1-oxo-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-2-yl}acetamide

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

C696-0980

Molecular Formula

C25H27N5O3 (C25 H27 N5 O3)

Compound Name

N-[2-(dimethylamino)ethyl]-N-[(furan-2-yl)methyl]-2-{1-oxo-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-2-yl}acetamide

IUPAC name

N-[2-(dimethylamino)ethyl]-N-[(furan-2-yl)methyl]-2-{1-oxo-4-[(pyridin-4-yl)methyl]-12-dihydrophthalazin-2-yl}acetamide

SMILES

CN(C)CCN(Cc1ccco1)C(CN1N=C(Cc2ccncc2)c(cccc2)c2C1=O)=O

InChI

InChI=1S/C25H27N5O3/c1-28(2)13-14-29(17-20-6-5-15-33-20)24(31)18-30-25(32)22-8-4-3-7-21(22)23(27-30)16-19-9-11-26-12-10-19/h3-12,15H,13-14,16-18H2,1-2H3

InChI Key

UTAXTYVHVLJOPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.512

Distribution Coefficient, logD

0.533

Water Solubility, LogSw

-1.80

Polar Surface Area

64.075

Acid Dissociation Constant (pKa)

17.72

Base Dissociation Constant (pKb)

8.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C696-0980 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS Targets (44014 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with C696-0980 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C696-0980?
Check Price and Availability of C696-0980, 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 C696-0980 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C696-0980
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C696-0980
  • 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 C696-0980 available by request