2324-0043 Screening compound: 3-(prop-2-en-1-yl)-2-[(1E)-3-[(2Z)-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]prop-1-en-1-yl]-1,3-benzothiazol-3-ium

2324-0043 Screening compound: 3-(prop-2-en-1-yl)-2-[(1E)-3-[(2Z)-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]prop-1-en-1-yl]-1,3-benzothiazol-3-ium
2324-0043 Screening compound: 3-(prop-2-en-1-yl)-2-[(1E)-3-[(2Z)-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]prop-1-en-1-yl]-1,3-benzothiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 2324-0043
3-(prop-2-en-1-yl)-2-[(1E)-3-[(2Z)-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]prop-1-en-1-yl]-1,3-benzothiazol-3-ium

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

2324-0043

Molecular Formula

C23H21N2S2 (C23 H21 N2 S2)

Compound Name

3-(prop-2-en-1-yl)-2-[(1E)-3-[(2Z)-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]prop-1-en-1-yl]-1,3-benzothiazol-3-ium

IUPAC name

3-(prop-2-en-1-yl)-2-[(1E)-3-[(2Z)-3-(prop-2-en-1-yl)-23-dihydro-13-benzothiazol-2-ylidene]prop-1-en-1-yl]-13-benzothiazol-3-ium

SMILES

C=CCN1c(cccc2)c2S/C1=C\C=C\c1[n+](CC=C)c(cccc2)c2s1

InChI

InChI=1S/C23H21N2S2/c1-3-16-24-18-10-5-7-12-20(18)26-22(24)14-9-15-23-25(17-4-2)19-11-6-8-13-21(19)27-23/h3-15H,1-2,16-17H2/q+1

InChI Key

QHFLVMNSPJMLJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01841085

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

389.57

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.656

Distribution Coefficient, logD

6.656

Water Solubility, LogSw

-6.27

Polar Surface Area

2.650

Acid Dissociation Constant (pKa)

28.54

Base Dissociation Constant (pKb)

-4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

2324-0043 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2324-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2324-0043?
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What is the minimum amount of 2324-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2324-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2324-0043
  • 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 2324-0043 available by request