2422-1237 Screening compound: 3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonic acid

2422-1237 Screening compound: 3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonic acid
2422-1237 Screening compound: 3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2422-1237
3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonic acid

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

2422-1237

Molecular Formula

C10H11NO3S3 (C10 H11 NO3 S3)

Compound Name

3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonic acid

IUPAC name

3-(13-benzothiazol-2-ylsulfanyl)propane-1-sulfonic acid

SMILES

OS(CCCSc1nc(cccc2)c2s1)(=O)=O

InChI

InChI=1S/C10H11NO3S3/c12-17(13,14)7-3-6-15-10-11-8-4-1-2-5-9(8)16-10/h1-2,4-5H,3,6-7H2,(H,12,13,14)

InChI Key

XBNHRNFODJOFRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00541299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.362

Distribution Coefficient, logD

-8.065

Water Solubility, LogSw

-1.95

Polar Surface Area

52.379

Acid Dissociation Constant (pKa)

-2.19

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

2422-1237 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Carbonic Anhydrase II Library (4939 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 2422-1237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2422-1237?
Check Price and Availability of 2422-1237, 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 2422-1237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2422-1237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2422-1237
  • 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 2422-1237 available by request