1080-0356 Screening compound: 3-{2-[(E)-[(2-hydroxynaphthalen-1-yl)methylidene]amino]-1,3-thiazol-4-yl}-2H-chromen-2-one

1080-0356 Screening compound: 3-{2-[(E)-[(2-hydroxynaphthalen-1-yl)methylidene]amino]-1,3-thiazol-4-yl}-2H-chromen-2-one
1080-0356 Screening compound: 3-{2-[(E)-[(2-hydroxynaphthalen-1-yl)methylidene]amino]-1,3-thiazol-4-yl}-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1080-0356
3-{2-[(E)-[(2-hydroxynaphthalen-1-yl)methylidene]amino]-1,3-thiazol-4-yl}-2H-chromen-2-one

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

1080-0356

Molecular Formula

C23H14N2O3S (C23 H14 N2 O3 S)

Compound Name

3-{2-[(E)-[(2-hydroxynaphthalen-1-yl)methylidene]amino]-1,3-thiazol-4-yl}-2H-chromen-2-one

IUPAC name

3-{2-[(E)-[(2-hydroxynaphthalen-1-yl)methylidene]amino]-13-thiazol-4-yl}-2H-chromen-2-one

SMILES

Oc1c(/C=N/c2nc(C3=Cc(cccc4)c4OC3=O)cs2)c2ccccc2cc1

InChI

InChI=1S/C23H14N2O3S/c26-20-10-9-14-5-1-3-7-16(14)18(20)12-24-23-25-19(13-29-23)17-11-15-6-2-4-8-21(15)28-22(17)27/h1-13,26H

InChI Key

YWULYBMREASACQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00489508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.271

Distribution Coefficient, logD

5.268

Water Solubility, LogSw

-6.13

Polar Surface Area

55.339

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1080-0356 in Drug Discovery

Included in Screening Libraries

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

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 1080-0356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1080-0356?
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What is the minimum amount of 1080-0356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1080-0356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1080-0356
  • 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 1080-0356 available by request