8012-7567 Screening compound: N-(5-bromoquinolin-8-yl)-2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)acetamide

8012-7567 Screening compound: N-(5-bromoquinolin-8-yl)-2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)acetamide
8012-7567 Screening compound: N-(5-bromoquinolin-8-yl)-2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7567
N-(5-bromoquinolin-8-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

8012-7567

Molecular Formula

C20H15BrN4O2 (C20 H15 BrN4 O2)

Compound Name

N-(5-bromoquinolin-8-yl)-2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)acetamide

IUPAC name

N-(5-bromoquinolin-8-yl)-2-(4-methyl-1-oxo-12-dihydrophthalazin-2-yl)acetamide

SMILES

CC(c1c2cccc1)=NN(CC(Nc(c1ncccc11)ccc1Br)=O)C2=O

InChI

InChI=1S/C20H15BrN4O2/c1-12-13-5-2-3-6-14(13)20(27)25(24-12)11-18(26)23-17-9-8-16(21)15-7-4-10-22-19(15)17/h2-10H,11H2,1H3,(H,23,26)

InChI Key

RQIJGNXFPACUFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03133593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.195

Distribution Coefficient, logD

3.195

Water Solubility, LogSw

-3.35

Polar Surface Area

58.625

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8012-7567 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-7567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7567?
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What is the minimum amount of 8012-7567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7567
  • 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 8012-7567 available by request