0757-0002 Screening compound: 3-ethyl-2-[(1E,3E)-5-[(2E)-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]penta-1,3-dien-1-yl]-1,3-benzothiazol-3-ium

0757-0002 Screening compound: 3-ethyl-2-[(1E,3E)-5-[(2E)-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]penta-1,3-dien-1-yl]-1,3-benzothiazol-3-ium
0757-0002 Screening compound: 3-ethyl-2-[(1E,3E)-5-[(2E)-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]penta-1,3-dien-1-yl]-1,3-benzothiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0757-0002
3-ethyl-2-[(1E,3E)-5-[(2E)-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]penta-1,3-dien-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

0757-0002

Molecular Formula

C23H23N2S2 (C23 H23 N2 S2)

Compound Name

3-ethyl-2-[(1E,3E)-5-[(2E)-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]penta-1,3-dien-1-yl]-1,3-benzothiazol-3-ium

IUPAC name

3-ethyl-2-[(1E3E)-5-[(2E)-3-ethyl-23-dihydro-13-benzothiazol-2-ylidene]penta-13-dien-1-yl]-13-benzothiazol-3-ium

SMILES

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

InChI

InChI=1S/C23H23N2S2/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23/h5-17H,3-4H2,1-2H3/q+1

InChI Key

FYXWDSGGZAMYFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00242881

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

391.58

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.782

Distribution Coefficient, logD

6.782

Water Solubility, LogSw

-5.97

Polar Surface Area

2.142

Acid Dissociation Constant (pKa)

26.25

Base Dissociation Constant (pKb)

-3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

0757-0002 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Ion Channels
  • Kinases

References: we are preparing a list of scientific research reports with 0757-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0757-0002?
Check Price and Availability of 0757-0002, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0757-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0757-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0757-0002
  • 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 0757-0002 available by request