8009-6150 Screening compound: 1-(1H-1,3-benzodiazol-2-ylsulfanyl)-4-phenylphthalazine

8009-6150 Screening compound: 1-(1H-1,3-benzodiazol-2-ylsulfanyl)-4-phenylphthalazine
8009-6150 Screening compound: 1-(1H-1,3-benzodiazol-2-ylsulfanyl)-4-phenylphthalazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-6150
1-(1H-1,3-benzodiazol-2-ylsulfanyl)-4-phenylphthalazine

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

8009-6150

Molecular Formula

C21H14N4S (C21 H14 N4 S)

Compound Name

1-(1H-1,3-benzodiazol-2-ylsulfanyl)-4-phenylphthalazine

IUPAC name

1-(1H-13-benzodiazol-2-ylsulfanyl)-4-phenylphthalazine

SMILES

c(cc1)ccc1-c(c1ccccc11)nnc1Sc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C21H14N4S/c1-2-8-14(9-3-1)19-15-10-4-5-11-16(15)20(25-24-19)26-21-22-17-12-6-7-13-18(17)23-21/h1-13H,(H,22,23)

InChI Key

ZOEVPDGWMIXIRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01822171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.679

Distribution Coefficient, logD

4.678

Water Solubility, LogSw

-4.82

Polar Surface Area

40.082

Acid Dissociation Constant (pKa)

13.18

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8009-6150 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8009-6150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-6150?
Check Price and Availability of 8009-6150, 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 8009-6150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-6150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-6150
  • 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 8009-6150 available by request