8009-8196 Screening compound: 5'-benzoyl-4-methyl-2,3'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]

8009-8196 Screening compound: 5'-benzoyl-4-methyl-2,3'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]
8009-8196 Screening compound: 5'-benzoyl-4-methyl-2,3'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole] alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-8196
5'-benzoyl-4-methyl-2,3'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]

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

8009-8196

Molecular Formula

C29H22N4OS (C29 H22 N4 OS)

Compound Name

5'-benzoyl-4-methyl-2,3'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]

IUPAC name

5'-benzoyl-4-methyl-23'-diphenyl-2H3'H-spiro[phthalazine-12'-[134]thiadiazole]

SMILES

CC(c1c(C23SC(C(c4ccccc4)=O)=NN3c3ccccc3)cccc1)=NN2c1ccccc1

InChI

InChI=1S/C29H22N4OS/c1-21-25-19-11-12-20-26(25)29(32(30-21)23-15-7-3-8-16-23)33(24-17-9-4-10-18-24)31-28(35-29)27(34)22-13-5-2-6-14-22/h2-20H,1H3/t29-/m1/s1

InChI Key

NUNGALMOEFLXOL-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD01439208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.719

Distribution Coefficient, logD

6.719

Water Solubility, LogSw

-5.88

Polar Surface Area

38.191

Acid Dissociation Constant (pKa)

25.29

Base Dissociation Constant (pKb)

3.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.90

8009-8196 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8009-8196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-8196?
Check Price and Availability of 8009-8196, 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 8009-8196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-8196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-8196
  • 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 8009-8196 available by request