8298-0133 Screening compound: N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide

8298-0133 Screening compound: N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
8298-0133 Screening compound: N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8298-0133
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-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

8298-0133

Molecular Formula

C21H17ClN4O2S (C21 H17 ClN4 O2 S)

Compound Name

N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide

IUPAC name

N-[4-(4-chlorophenyl)-5-methyl-13-thiazol-2-yl]-2-(3-methyl-4-oxo-34-dihydrophthalazin-1-yl)acetamide

SMILES

Cc1c(-c(cc2)ccc2Cl)nc(NC(CC(c2c3cccc2)=NN(C)C3=O)=O)s1

InChI

InChI=1S/C21H17ClN4O2S/c1-12-19(13-7-9-14(22)10-8-13)24-21(29-12)23-18(27)11-17-15-5-3-4-6-16(15)20(28)26(2)25-17/h3-10H,11H2,1-2H3,(H,23,24,27)

InChI Key

BJIRTQLMJJQBEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07153147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.91

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

4.047

Distribution Coefficient, logD

4.047

Water Solubility, LogSw

-4.59

Polar Surface Area

60.744

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8298-0133 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8298-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8298-0133?
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What is the minimum amount of 8298-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8298-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8298-0133
  • 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 8298-0133 available by request