8013-4855 Screening compound: 2-[1-oxo-2(1H)-phthalazinyl]-N~1~-[3-(trifluoromethyl)phenyl]acetamide

8013-4855 Screening compound: 2-[1-oxo-2(1H)-phthalazinyl]-N~1~-[3-(trifluoromethyl)phenyl]acetamide
8013-4855 Screening compound: 2-[1-oxo-2(1H)-phthalazinyl]-N~1~-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-4855
2-[1-oxo-2(1H)-phthalazinyl]-N~1~-[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

8013-4855

Molecular Formula

C17H12F3N3O2 (C17 H12 F3 N3 O2)

Compound Name

2-[1-oxo-2(1H)-phthalazinyl]-N~1~-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

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

SMILES

O=C(CN1N=Cc(cccc2)c2C1=O)Nc1cccc(C(F)(F)F)c1

InChI

InChI=1S/C17H12F3N3O2/c18-17(19,20)12-5-3-6-13(8-12)22-15(24)10-23-16(25)14-7-2-1-4-11(14)9-21-23/h1-9H,10H2,(H,22,24)

InChI Key

FQHLFIQBBAZJEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03196035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.3

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

2.844

Distribution Coefficient, logD

2.844

Water Solubility, LogSw

-3.59

Polar Surface Area

51.379

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

References: we are preparing a list of scientific research reports with 8013-4855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-4855?
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What is the minimum amount of 8013-4855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-4855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-4855
  • 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 8013-4855 available by request