1495-0418 Screening compound: 2-[(2E)-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-1-phenylethan-1-one

1495-0418 Screening compound: 2-[(2E)-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-1-phenylethan-1-one
1495-0418 Screening compound: 2-[(2E)-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-1-phenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1495-0418
2-[(2E)-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-1-phenylethan-1-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

1495-0418

Molecular Formula

C16H13NOS (C16 H13 NOS)

Compound Name

2-[(2E)-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-1-phenylethan-1-one

IUPAC name

2-[(2E)-3-methyl-23-dihydro-13-benzothiazol-2-ylidene]-1-phenylethan-1-one

SMILES

CN1c(cccc2)c2S/C1=C/C(c1ccccc1)=O

InChI

InChI=1S/C16H13NOS/c1-17-13-9-5-6-10-15(13)19-16(17)11-14(18)12-7-3-2-4-8-12/h2-11H,1H3

InChI Key

ZOSCLVRDFHFOHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00498259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.684

Distribution Coefficient, logD

3.684

Water Solubility, LogSw

-4.03

Polar Surface Area

14.664

Acid Dissociation Constant (pKa)

32.03

Base Dissociation Constant (pKb)

1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

1495-0418 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1495-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1495-0418?
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What is the minimum amount of 1495-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1495-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1495-0418
  • 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 1495-0418 available by request