8009-5240 Screening compound: 1,3-benzothiazol-2-yl (4-methyl-1-phthalazinyl) sulfide

8009-5240 Screening compound: 1,3-benzothiazol-2-yl (4-methyl-1-phthalazinyl) sulfide
8009-5240 Screening compound: 1,3-benzothiazol-2-yl (4-methyl-1-phthalazinyl) sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5240
1,3-benzothiazol-2-yl (4-methyl-1-phthalazinyl) sulfide

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

8009-5240

Molecular Formula

C16H11N3S2 (C16 H11 N3 S2)

Compound Name

1,3-benzothiazol-2-yl (4-methyl-1-phthalazinyl) sulfide

IUPAC name

1-(13-benzothiazol-2-ylsulfanyl)-4-methylphthalazine

SMILES

Cc(c1ccccc11)nnc1Sc1nc(cccc2)c2s1

InChI

InChI=1S/C16H11N3S2/c1-10-11-6-2-3-7-12(11)15(19-18-10)21-16-17-13-8-4-5-9-14(13)20-16/h2-9H,1H3

InChI Key

QRLMCLOTHBGUBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01816245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.687

Distribution Coefficient, logD

4.687

Water Solubility, LogSw

-4.58

Polar Surface Area

31.228

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

8009-5240 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8009-5240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5240?
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What is the minimum amount of 8009-5240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5240
  • 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 8009-5240 available by request