C105-0754 Screening compound: 3-(2,1,3-BENZOTHIADIAZOLE-4-SULFONYL)-N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]PROPANAMIDE

C105-0754 Screening compound: 3-(2,1,3-BENZOTHIADIAZOLE-4-SULFONYL)-N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]PROPANAMIDE
C105-0754 Screening compound: 3-(2,1,3-BENZOTHIADIAZOLE-4-SULFONYL)-N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C105-0754
3-(2,1,3-BENZOTHIADIAZOLE-4-SULFONYL)-N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]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

C105-0754

Molecular Formula

C19H21N3O5S2 (C19 H21 N3 O5 S2)

Compound Name

3-(2,1,3-BENZOTHIADIAZOLE-4-SULFONYL)-N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]PROPANAMIDE

IUPAC name

n/a

SMILES

COc(ccc(CCNC(CCS(c1cccc2nsnc12)(=O)=O)=O)c1)c1OC

InChI

InChI=1S/C19H21N3O5S2/c1-26-15-7-6-13(12-16(15)27-2)8-10-20-18(23)9-11-29(24,25)17-5-3-4-14-19(17)22-28-21-14/h3-7,12H,8-11H2,1-2H3,(H,20,23)

InChI Key

YPYJMQPUVGBSLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.453

Distribution Coefficient, logD

1.453

Water Solubility, LogSw

-2.45

Polar Surface Area

89.530

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.00

C105-0754 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C105-0754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C105-0754?
Check Price and Availability of C105-0754, 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 C105-0754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C105-0754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C105-0754
  • 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 C105-0754 available by request