8009-4733 Screening compound: 1-[(E)-[(2-{[(2,5-dichlorophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl]naphthalen-2-ol

8009-4733 Screening compound: 1-[(E)-[(2-{[(2,5-dichlorophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl]naphthalen-2-ol
8009-4733 Screening compound: 1-[(E)-[(2-{[(2,5-dichlorophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl]naphthalen-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-4733
1-[(E)-[(2-{[(2,5-dichlorophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl]naphthalen-2-ol

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

8009-4733

Molecular Formula

C25H16Cl2N2OS2 (C25 H16 Cl2 N2 OS2)

Compound Name

1-[(E)-[(2-{[(2,5-dichlorophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl]naphthalen-2-ol

IUPAC name

1-[(E)-[(2-{[(25-dichlorophenyl)methyl]sulfanyl}-13-benzothiazol-6-yl)imino]methyl]naphthalen-2-ol

SMILES

Oc1c(/C=N/c(cc2)cc3c2nc(SCc(cc(cc2)Cl)c2Cl)s3)c2ccccc2cc1

InChI

InChI=1S/C25H16Cl2N2OS2/c26-17-6-8-21(27)16(11-17)14-31-25-29-22-9-7-18(12-24(22)32-25)28-13-20-19-4-2-1-3-15(19)5-10-23(20)30/h1-13,30H,14H2

InChI Key

BEARGERABTUAIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01617983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

8.140

Distribution Coefficient, logD

8.095

Water Solubility, LogSw

-6.56

Polar Surface Area

33.452

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

References: we are preparing a list of scientific research reports with 8009-4733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-4733?
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What is the minimum amount of 8009-4733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-4733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-4733
  • 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 8009-4733 available by request