C696-1105 Screening compound: N-(2-ethoxyphenyl)-N-methyl-2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}acetamide

C696-1105 Screening compound: N-(2-ethoxyphenyl)-N-methyl-2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}acetamide
C696-1105 Screening compound: N-(2-ethoxyphenyl)-N-methyl-2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C696-1105
N-(2-ethoxyphenyl)-N-methyl-2-{1-oxo-4-[(pyridin-3-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

C696-1105

Molecular Formula

C25H24N4O3 (C25 H24 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cccc1)c1N(C)C(CN1N=C(Cc2cnccc2)c(cccc2)c2C1=O)=O

InChI

InChI=1S/C25H24N4O3/c1-3-32-23-13-7-6-12-22(23)28(2)24(30)17-29-25(31)20-11-5-4-10-19(20)21(27-29)15-18-9-8-14-26-16-18/h4-14,16H,3,15,17H2,1-2H3

InChI Key

KXHHNMBIZFUKRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.477

Distribution Coefficient, logD

2.464

Water Solubility, LogSw

-2.39

Polar Surface Area

58.639

Acid Dissociation Constant (pKa)

15.88

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C696-1105 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C696-1105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C696-1105?
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What is the minimum amount of C696-1105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C696-1105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C696-1105
  • 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 C696-1105 available by request