8018-5442 Screening compound: 3-[(2-chlorophenyl)methyl]-4-oxo-N-(pyridin-4-yl)-3,4-dihydrophthalazine-1-carboxamide

8018-5442 Screening compound: 3-[(2-chlorophenyl)methyl]-4-oxo-N-(pyridin-4-yl)-3,4-dihydrophthalazine-1-carboxamide
8018-5442 Screening compound: 3-[(2-chlorophenyl)methyl]-4-oxo-N-(pyridin-4-yl)-3,4-dihydrophthalazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5442
3-[(2-chlorophenyl)methyl]-4-oxo-N-(pyridin-4-yl)-3,4-dihydrophthalazine-1-carboxamide

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

8018-5442

Molecular Formula

C21H15ClN4O2 (C21 H15 ClN4 O2)

Compound Name

3-[(2-chlorophenyl)methyl]-4-oxo-N-(pyridin-4-yl)-3,4-dihydrophthalazine-1-carboxamide

IUPAC name

3-[(2-chlorophenyl)methyl]-4-oxo-N-(pyridin-4-yl)-34-dihydrophthalazine-1-carboxamide

SMILES

O=C(C(c1c2cccc1)=NN(Cc(cccc1)c1Cl)C2=O)Nc1ccncc1

InChI

InChI=1S/C21H15ClN4O2/c22-18-8-4-1-5-14(18)13-26-21(28)17-7-3-2-6-16(17)19(25-26)20(27)24-15-9-11-23-12-10-15/h1-12H,13H2,(H,23,24,27)

InChI Key

MWFCUAYFLROMPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.017

Distribution Coefficient, logD

2.978

Water Solubility, LogSw

-3.79

Polar Surface Area

59.986

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

5.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

8018-5442 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 8018-5442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5442?
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What is the minimum amount of 8018-5442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5442
  • 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 8018-5442 available by request