C696-0910 Screening compound: N-(2-chlorophenyl)-2-{1-oxo-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-2-yl}acetamide

C696-0910 Screening compound: N-(2-chlorophenyl)-2-{1-oxo-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-2-yl}acetamide
C696-0910 Screening compound: N-(2-chlorophenyl)-2-{1-oxo-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C696-0910
N-(2-chlorophenyl)-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

C696-0910

Molecular Formula

C22H17ClN4O2 (C22 H17 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN1N=C(Cc2ccncc2)c(cccc2)c2C1=O)Nc(cccc1)c1Cl

InChI

InChI=1S/C22H17ClN4O2/c23-18-7-3-4-8-19(18)25-21(28)14-27-22(29)17-6-2-1-5-16(17)20(26-27)13-15-9-11-24-12-10-15/h1-12H,13-14H2,(H,25,28)

InChI Key

IUTHWJQOUCOUFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.492

Distribution Coefficient, logD

2.488

Water Solubility, LogSw

-3.33

Polar Surface Area

58.979

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

C696-0910 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 C696-0910 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C696-0910?
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What is the minimum amount of C696-0910 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C696-0910
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C696-0910
  • 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 C696-0910 available by request