4890-0190 Screening compound: 2-{[1-ethylthieno[2,3-e][1,3]benzothiazol-2(1H)-yliden]methyl}-1,6-dimethylquinolinium

4890-0190 Screening compound: 2-{[1-ethylthieno[2,3-e][1,3]benzothiazol-2(1H)-yliden]methyl}-1,6-dimethylquinolinium
4890-0190 Screening compound: 2-{[1-ethylthieno[2,3-e][1,3]benzothiazol-2(1H)-yliden]methyl}-1,6-dimethylquinolinium alternative view

Chemical Structure Depiction of ChemDiv screening compound 4890-0190
2-{[1-ethylthieno[2,3-e][1,3]benzothiazol-2(1H)-yliden]methyl}-1,6-dimethylquinolinium

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

4890-0190

Molecular Formula

C23H21N2S2 (C23 H21 N2 S2)

Compound Name

2-{[1-ethylthieno[2,3-e][1,3]benzothiazol-2(1H)-yliden]methyl}-1,6-dimethylquinolinium

IUPAC name

2-{[(4Z)-3-ethyl-512-dithia-3-azatricyclo[7.3.0.0^{26}]dodeca-1(9)2(6)710-tetraen-4-ylidene]methyl}-16-dimethylquinolin-1-ium

SMILES

CCN1c(c(scc2)c2cc2)c2S/C1=C\c1[n+](C)c2ccc(C)cc2cc1

InChI

InChI=1S/C23H21N2S2/c1-4-25-21(27-20-10-7-16-11-12-26-23(16)22(20)25)14-18-8-6-17-13-15(2)5-9-19(17)24(18)3/h5-14H,4H2,1-3H3/q+1

InChI Key

NKPOBBNEGFSPBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03448100

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

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.162

Distribution Coefficient, logD

7.162

Water Solubility, LogSw

-6.01

Polar Surface Area

4.278

Acid Dissociation Constant (pKa)

27.62

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

4890-0190 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 4890-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4890-0190?
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What is the minimum amount of 4890-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4890-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4890-0190
  • 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 4890-0190 available by request