C696-1119 Screening compound: N-(3-chlorophenyl)-2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-propylacetamide

C696-1119 Screening compound: N-(3-chlorophenyl)-2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-propylacetamide
C696-1119 Screening compound: N-(3-chlorophenyl)-2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C696-1119
N-(3-chlorophenyl)-2-{1-oxo-4-[(pyridin-3-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

C696-1119

Molecular Formula

C25H23ClN4O2 (C25 H23 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCN(C(CN1N=C(Cc2cnccc2)c(cccc2)c2C1=O)=O)c1cccc(Cl)c1

InChI

InChI=1S/C25H23ClN4O2/c1-2-13-29(20-9-5-8-19(26)15-20)24(31)17-30-25(32)22-11-4-3-10-21(22)23(28-30)14-18-7-6-12-27-16-18/h3-12,15-16H,2,13-14,17H2,1H3

InChI Key

YUSVXSZKPUWHBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.94

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

3.709

Distribution Coefficient, logD

3.697

Water Solubility, LogSw

-4.12

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

20.00

C696-1119 in Drug Discovery

Included in Screening Libraries

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 C696-1119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C696-1119?
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What is the minimum amount of C696-1119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C696-1119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C696-1119
  • 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 C696-1119 available by request