C105-0719 Screening compound: 3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-phenyl-N-(prop-2-en-1-yl)propanamide

C105-0719 Screening compound: 3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-phenyl-N-(prop-2-en-1-yl)propanamide
C105-0719 Screening compound: 3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-phenyl-N-(prop-2-en-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C105-0719
3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-phenyl-N-(prop-2-en-1-yl)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

C105-0719

Molecular Formula

C18H17N3O3S2 (C18 H17 N3 O3 S2)

Compound Name

3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-phenyl-N-(prop-2-en-1-yl)propanamide

IUPAC name

3-(213-benzothiadiazole-4-sulfonyl)-N-phenyl-N-(prop-2-en-1-yl)propanamide

SMILES

C=CCN(C(CCS(c1cccc2nsnc12)(=O)=O)=O)c1ccccc1

InChI

InChI=1S/C18H17N3O3S2/c1-2-12-21(14-7-4-3-5-8-14)17(22)11-13-26(23,24)16-10-6-9-15-18(16)20-25-19-15/h2-10H,1,11-13H2

InChI Key

NIYNYAXCUJAISQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05031426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.157

Distribution Coefficient, logD

3.157

Water Solubility, LogSw

-3.37

Polar Surface Area

65.301

Acid Dissociation Constant (pKa)

19.96

Base Dissociation Constant (pKb)

-2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

C105-0719 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C105-0719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C105-0719?
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What is the minimum amount of C105-0719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C105-0719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C105-0719
  • 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 C105-0719 available by request