C105-0838 Screening compound: 3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[3-(methylsulfanyl)phenyl]propanamide

C105-0838 Screening compound: 3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[3-(methylsulfanyl)phenyl]propanamide
C105-0838 Screening compound: 3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[3-(methylsulfanyl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C105-0838
3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[3-(methylsulfanyl)phenyl]propanamide

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

C105-0838

Molecular Formula

C16H15N3O3S3 (C16 H15 N3 O3 S3)

Compound Name

3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[3-(methylsulfanyl)phenyl]propanamide

IUPAC name

3-(213-benzothiadiazole-4-sulfonyl)-N-[3-(methylsulfanyl)phenyl]propanamide

SMILES

CSc1cccc(NC(CCS(c2cccc3nsnc23)(=O)=O)=O)c1

InChI

InChI=1S/C16H15N3O3S3/c1-23-12-5-2-4-11(10-12)17-15(20)8-9-25(21,22)14-7-3-6-13-16(14)19-24-18-13/h2-7,10H,8-9H2,1H3,(H,17,20)

InChI Key

ZRHNEMSQHZFMNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.922

Distribution Coefficient, logD

2.922

Water Solubility, LogSw

-3.54

Polar Surface Area

73.105

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

C105-0838 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C105-0838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C105-0838?
Check Price and Availability of C105-0838, 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 C105-0838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C105-0838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C105-0838
  • 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 C105-0838 available by request