8012-7664 Screening compound: 2-{4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxo-1,2-dihydrophthalazin-2-yl}-N-[4-(trifluoromethoxy)phenyl]acetamide

8012-7664 Screening compound: 2-{4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxo-1,2-dihydrophthalazin-2-yl}-N-[4-(trifluoromethoxy)phenyl]acetamide
8012-7664 Screening compound: 2-{4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxo-1,2-dihydrophthalazin-2-yl}-N-[4-(trifluoromethoxy)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7664
2-{4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxo-1,2-dihydrophthalazin-2-yl}-N-[4-(trifluoromethoxy)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

8012-7664

Molecular Formula

C26H23F3N4O5S (C26 H23 F3 N4 O5 S)

Compound Name

2-{4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxo-1,2-dihydrophthalazin-2-yl}-N-[4-(trifluoromethoxy)phenyl]acetamide

IUPAC name

2-{4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxo-12-dihydrophthalazin-2-yl}-N-[4-(trifluoromethoxy)phenyl]acetamide

SMILES

Cc(ccc(C(c1c2cccc1)=NN(CC(Nc(cc1)ccc1OC(F)(F)F)=O)C2=O)c1)c1S(N(C)C)(=O)=O

InChI

InChI=1S/C26H23F3N4O5S/c1-16-8-9-17(14-22(16)39(36,37)32(2)3)24-20-6-4-5-7-21(20)25(35)33(31-24)15-23(34)30-18-10-12-19(13-11-18)38-26(27,28)29/h4-14H,15H2,1-3H3,(H,30,34)

InChI Key

LWONHLBZZBHPSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.727

Distribution Coefficient, logD

4.727

Water Solubility, LogSw

-4.48

Polar Surface Area

89.945

Acid Dissociation Constant (pKa)

12.91

Base Dissociation Constant (pKb)

1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

8012-7664 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8012-7664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7664?
Check Price and Availability of 8012-7664, 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 8012-7664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7664
  • 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 8012-7664 available by request