1497-0946 Screening compound: 1-[(E)-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]imino}methyl]naphthalen-2-ol

1497-0946 Screening compound: 1-[(E)-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]imino}methyl]naphthalen-2-ol
1497-0946 Screening compound: 1-[(E)-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]imino}methyl]naphthalen-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1497-0946
1-[(E)-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]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

1497-0946

Molecular Formula

C24H16N2O2S (C24 H16 N2 O2 S)

Compound Name

1-[(E)-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]imino}methyl]naphthalen-2-ol

IUPAC name

1-[(E)-{[3-(13-benzothiazol-2-yl)-4-hydroxyphenyl]imino}methyl]naphthalen-2-ol

SMILES

Oc1c(/C=N/c(cc2)cc(-c3nc(cccc4)c4s3)c2O)c2ccccc2cc1

InChI

InChI=1S/C24H16N2O2S/c27-21-12-10-16(13-18(21)24-26-20-7-3-4-8-23(20)29-24)25-14-19-17-6-2-1-5-15(17)9-11-22(19)28/h1-14,27-28H

InChI Key

RJMOCCPFIMOART-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00562545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.453

Distribution Coefficient, logD

6.409

Water Solubility, LogSw

-7.06

Polar Surface Area

50.639

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1497-0946 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1497-0946 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1497-0946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1497-0946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1497-0946
  • 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 1497-0946 available by request