C696-1154 Screening compound: 2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-[4-(propan-2-yl)phenyl]-N-propylacetamide

C696-1154 Screening compound: 2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-[4-(propan-2-yl)phenyl]-N-propylacetamide
C696-1154 Screening compound: 2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-[4-(propan-2-yl)phenyl]-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C696-1154
2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-[4-(propan-2-yl)phenyl]-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

C696-1154

Molecular Formula

C28H30N4O2 (C28 H30 N4 O2)

Compound Name

2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-[4-(propan-2-yl)phenyl]-N-propylacetamide

IUPAC name

2-{1-oxo-4-[(pyridin-3-yl)methyl]-12-dihydrophthalazin-2-yl}-N-[4-(propan-2-yl)phenyl]-N-propylacetamide

SMILES

CCCN(C(CN1N=C(Cc2cnccc2)c(cccc2)c2C1=O)=O)c1ccc(C(C)C)cc1

InChI

InChI=1S/C28H30N4O2/c1-4-16-31(23-13-11-22(12-14-23)20(2)3)27(33)19-32-28(34)25-10-6-5-9-24(25)26(30-32)17-21-8-7-15-29-18-21/h5-15,18,20H,4,16-17,19H2,1-3H3

InChI Key

OENSFHATULJYOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.433

Distribution Coefficient, logD

4.421

Water Solubility, LogSw

-4.11

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

28.60

C696-1154 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C696-1154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C696-1154?
Check Price and Availability of C696-1154, 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 C696-1154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C696-1154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C696-1154
  • 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 C696-1154 available by request