1483-0018 Screening compound: 2-chloro-N-[(2E)-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]acetamide

1483-0018 Screening compound: 2-chloro-N-[(2E)-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]acetamide
1483-0018 Screening compound: 2-chloro-N-[(2E)-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1483-0018
2-chloro-N-[(2E)-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]acetamide

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

1483-0018

Molecular Formula

C10H9ClN2OS (C10 H9 ClN2 OS)

Compound Name

2-chloro-N-[(2E)-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]acetamide

IUPAC name

2-chloro-N-[(2E)-3-methyl-23-dihydro-13-benzothiazol-2-ylidene]acetamide

SMILES

CN(c(cccc1)c1S1)/C1=N\C(CCl)=O

InChI

InChI=1S/C10H9ClN2OS/c1-13-7-4-2-3-5-8(7)15-10(13)12-9(14)6-11/h2-5H,6H2,1H3

InChI Key

OSJWKPHEUAQQKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

240.71

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.654

Distribution Coefficient, logD

1.654

Water Solubility, LogSw

-2.08

Polar Surface Area

25.354

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

1483-0018 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1483-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1483-0018?
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What is the minimum amount of 1483-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1483-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1483-0018
  • 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 1483-0018 available by request