K851-0079 Screening compound: 2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

K851-0079 Screening compound: 2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
K851-0079 Screening compound: 2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K851-0079
2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-[4-(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

K851-0079

Molecular Formula

C18H14F3N3O2 (C18 H14 F3 N3 O2)

Compound Name

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

IUPAC name

2-(3-methyl-4-oxo-34-dihydrophthalazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

SMILES

CN1N=C(CC(Nc2ccc(C(F)(F)F)cc2)=O)c(cccc2)c2C1=O

InChI

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

InChI Key

GCYCFRFSWLUOOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15110860

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

2.913

Distribution Coefficient, logD

2.913

Water Solubility, LogSw

-3.75

Polar Surface Area

50.199

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

-0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

K851-0079 in Drug Discovery

Included in Screening Libraries

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K851-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K851-0079?
Check Price and Availability of K851-0079, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K851-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K851-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K851-0079
  • 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 K851-0079 available by request