D073-0358 Screening compound: 2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)-N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}acetamide

D073-0358 Screening compound: 2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)-N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}acetamide
D073-0358 Screening compound: 2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)-N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D073-0358
2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)-N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-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

D073-0358

Molecular Formula

C24H26N6O2 (C24 H26 N6 O2)

Compound Name

2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)-N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}acetamide

IUPAC name

2-(4-methyl-1-oxo-12-dihydrophthalazin-2-yl)-N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-13-benzodiazol-5-yl}acetamide

SMILES

CC(c1c2cccc1)=NN(CC(Nc(cc1)cc3c1n(C)c(CN1CCCC1)n3)=O)C2=O

InChI

InChI=1S/C24H26N6O2/c1-16-18-7-3-4-8-19(18)24(32)30(27-16)15-23(31)25-17-9-10-21-20(13-17)26-22(28(21)2)14-29-11-5-6-12-29/h3-4,7-10,13H,5-6,11-12,14-15H2,1-2H3,(H,25,31)

InChI Key

TXBVDNZKACACLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06006556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.339

Distribution Coefficient, logD

1.860

Water Solubility, LogSw

-3.16

Polar Surface Area

65.874

Acid Dissociation Constant (pKa)

12.91

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D073-0358 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with D073-0358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D073-0358?
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What is the minimum amount of D073-0358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D073-0358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D073-0358
  • 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 D073-0358 available by request