4157-1615 Screening compound: 1-(1,3-benzothiazol-2-ylsulfanyl)-9,10-dihydroanthracene-9,10-dione

4157-1615 Screening compound: 1-(1,3-benzothiazol-2-ylsulfanyl)-9,10-dihydroanthracene-9,10-dione
4157-1615 Screening compound: 1-(1,3-benzothiazol-2-ylsulfanyl)-9,10-dihydroanthracene-9,10-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4157-1615
1-(1,3-benzothiazol-2-ylsulfanyl)-9,10-dihydroanthracene-9,10-dione

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

4157-1615

Molecular Formula

C21H11NO2S2 (C21 H11 NO2 S2)

Compound Name

1-(1,3-benzothiazol-2-ylsulfanyl)-9,10-dihydroanthracene-9,10-dione

IUPAC name

1-(13-benzothiazol-2-ylsulfanyl)-910-dihydroanthracene-910-dione

SMILES

O=C(c1c2cccc1)c1cccc(Sc3nc(cccc4)c4s3)c1C2=O

InChI

InChI=1S/C21H11NO2S2/c23-19-12-6-1-2-7-13(12)20(24)18-14(19)8-5-11-17(18)26-21-22-15-9-3-4-10-16(15)25-21/h1-11H

InChI Key

WLOHBHOXSMWSGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02153216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.285

Distribution Coefficient, logD

6.285

Water Solubility, LogSw

-6.02

Polar Surface Area

34.990

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4157-1615 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4157-1615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4157-1615?
Check Price and Availability of 4157-1615, 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 4157-1615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4157-1615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4157-1615
  • 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 4157-1615 available by request