0141-0263 Screening compound: 4-(1,3-benzothiazol-2-yl)-1-benzylpyridin-1-ium

0141-0263 Screening compound: 4-(1,3-benzothiazol-2-yl)-1-benzylpyridin-1-ium
0141-0263 Screening compound: 4-(1,3-benzothiazol-2-yl)-1-benzylpyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0141-0263
4-(1,3-benzothiazol-2-yl)-1-benzylpyridin-1-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

0141-0263

Molecular Formula

C19H15N2S (C19 H15 N2 S)

Compound Name

4-(1,3-benzothiazol-2-yl)-1-benzylpyridin-1-ium

IUPAC name

4-(13-benzothiazol-2-yl)-1-benzylpyridin-1-ium

SMILES

C(c1ccccc1)[n+](cc1)ccc1-c1nc(cccc2)c2s1

InChI

InChI=1S/C19H15N2S/c1-2-6-15(7-3-1)14-21-12-10-16(11-13-21)19-20-17-8-4-5-9-18(17)22-19/h1-13H,14H2/q+1

InChI Key

ORONZDNPGWKLDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00681419

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

303.41

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.773

Distribution Coefficient, logD

4.773

Water Solubility, LogSw

-4.85

Polar Surface Area

12.480

Acid Dissociation Constant (pKa)

25.33

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

0141-0263 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0141-0263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0141-0263?
Check Price and Availability of 0141-0263, 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 0141-0263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0141-0263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0141-0263
  • 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 0141-0263 available by request