D332-0076 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)acetamide

D332-0076 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)acetamide
D332-0076 Screening compound: N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D332-0076
N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-2-(4-methyl-1-oxo-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

D332-0076

Molecular Formula

C26H30N6O2 (C26 H30 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(c1c2cccc1)=NN(CC(Nc(cc1)cc3c1n(C)c(CN1CCCCCC1)n3)=O)C2=O

InChI

InChI=1S/C26H30N6O2/c1-18-20-9-5-6-10-21(20)26(34)32(29-18)17-25(33)27-19-11-12-23-22(15-19)28-24(30(23)2)16-31-13-7-3-4-8-14-31/h5-6,9-12,15H,3-4,7-8,13-14,16-17H2,1-2H3,(H,27,33)

InChI Key

FQNVCGJETZRJJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09222812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.56

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

3.215

Distribution Coefficient, logD

2.945

Water Solubility, LogSw

-3.45

Polar Surface Area

65.839

Acid Dissociation Constant (pKa)

12.91

Base Dissociation Constant (pKb)

7.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

D332-0076 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D332-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D332-0076?
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What is the minimum amount of D332-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D332-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D332-0076
  • 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 D332-0076 available by request