5498-2705 Screening compound: 2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

5498-2705 Screening compound: 2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
5498-2705 Screening compound: 2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5498-2705
2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)-N-[3-(trifluoromethyl)phenyl]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

5498-2705

Molecular Formula

C18H14F3N3O2 (C18 H14 F3 N3 O2)

Compound Name

2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-(4-methyl-1-oxo-12-dihydrophthalazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

CC(c1c2cccc1)=NN(CC(Nc1cccc(C(F)(F)F)c1)=O)C2=O

InChI

InChI=1S/C18H14F3N3O2/c1-11-14-7-2-3-8-15(14)17(26)24(23-11)10-16(25)22-13-6-4-5-12(9-13)18(19,20)21/h2-9H,10H2,1H3,(H,22,25)

InChI Key

PMOMIDFTDVLQAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03667537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.479

Distribution Coefficient, logD

3.479

Water Solubility, LogSw

-3.88

Polar Surface Area

49.789

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

5498-2705 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5498-2705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5498-2705?
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What is the minimum amount of 5498-2705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5498-2705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5498-2705
  • 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 5498-2705 available by request