C696-1142 Screening compound: 2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-phenyl-N-(prop-2-en-1-yl)acetamide

C696-1142 Screening compound: 2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-phenyl-N-(prop-2-en-1-yl)acetamide
C696-1142 Screening compound: 2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-phenyl-N-(prop-2-en-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C696-1142
2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-phenyl-N-(prop-2-en-1-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

C696-1142

Molecular Formula

C25H22N4O2 (C25 H22 N4 O2)

Compound Name

2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-phenyl-N-(prop-2-en-1-yl)acetamide

IUPAC name

2-{1-oxo-4-[(pyridin-3-yl)methyl]-12-dihydrophthalazin-2-yl}-N-phenyl-N-(prop-2-en-1-yl)acetamide

SMILES

C=CCN(C(CN1N=C(Cc2cnccc2)c(cccc2)c2C1=O)=O)c1ccccc1

InChI

InChI=1S/C25H22N4O2/c1-2-15-28(20-10-4-3-5-11-20)24(30)18-29-25(31)22-13-7-6-12-21(22)23(27-29)16-19-9-8-14-26-17-19/h2-14,17H,1,15-16,18H2

InChI Key

GJOOSORRWPLVJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.48

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

2.670

Distribution Coefficient, logD

2.658

Water Solubility, LogSw

-3.02

Polar Surface Area

51.962

Acid Dissociation Constant (pKa)

15.88

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C696-1142 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C696-1142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C696-1142?
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What is the minimum amount of C696-1142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C696-1142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C696-1142
  • 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 C696-1142 available by request