0336-0123 Screening compound: 1-[(E)-{[2-(1,3-benzothiazol-2-yl)phenyl]imino}methyl]naphthalen-2-ol

0336-0123 Screening compound: 1-[(E)-{[2-(1,3-benzothiazol-2-yl)phenyl]imino}methyl]naphthalen-2-ol
0336-0123 Screening compound: 1-[(E)-{[2-(1,3-benzothiazol-2-yl)phenyl]imino}methyl]naphthalen-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0336-0123
1-[(E)-{[2-(1,3-benzothiazol-2-yl)phenyl]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

0336-0123

Molecular Formula

C24H16N2OS (C24 H16 N2 OS)

Compound Name

1-[(E)-{[2-(1,3-benzothiazol-2-yl)phenyl]imino}methyl]naphthalen-2-ol

IUPAC name

1-[(E)-{[2-(13-benzothiazol-2-yl)phenyl]imino}methyl]naphthalen-2-ol

SMILES

Oc1c(/C=N/c(cccc2)c2-c2nc(cccc3)c3s2)c2ccccc2cc1

InChI

InChI=1S/C24H16N2OS/c27-22-14-13-16-7-1-2-8-17(16)19(22)15-25-20-10-4-3-9-18(20)24-26-21-11-5-6-12-23(21)28-24/h1-15,27H

InChI Key

GOFWGWJJKRCBHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.089

Distribution Coefficient, logD

6.042

Water Solubility, LogSw

-6.86

Polar Surface Area

33.393

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0336-0123 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0336-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0336-0123?
Check Price and Availability of 0336-0123, 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 0336-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0336-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0336-0123
  • 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 0336-0123 available by request