C105-2662 Screening compound: 3-(2,1,3-benzothiadiazole-4-sulfonamido)-N-benzylpropanamide

C105-2662 Screening compound: 3-(2,1,3-benzothiadiazole-4-sulfonamido)-N-benzylpropanamide
C105-2662 Screening compound: 3-(2,1,3-benzothiadiazole-4-sulfonamido)-N-benzylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C105-2662
3-(2,1,3-benzothiadiazole-4-sulfonamido)-N-benzylpropanamide

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

C105-2662

Molecular Formula

C16H16N4O3S2 (C16 H16 N4 O3 S2)

Compound Name

3-(2,1,3-benzothiadiazole-4-sulfonamido)-N-benzylpropanamide

IUPAC name

3-(213-benzothiadiazole-4-sulfonamido)-N-benzylpropanamide

SMILES

O=C(CCNS(c1cccc2nsnc12)(=O)=O)NCc1ccccc1

InChI

InChI=1S/C16H16N4O3S2/c21-15(17-11-12-5-2-1-3-6-12)9-10-18-25(22,23)14-8-4-7-13-16(14)20-24-19-13/h1-8,18H,9-11H2,(H,17,21)

InChI Key

TWMFZAQMNDKVCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.026

Distribution Coefficient, logD

2.022

Water Solubility, LogSw

-2.60

Polar Surface Area

87.262

Acid Dissociation Constant (pKa)

9.44

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

C105-2662 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

NOTUM (Wnt signaling) Library (3881 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 C105-2662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C105-2662?
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What is the minimum amount of C105-2662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C105-2662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C105-2662
  • 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 C105-2662 available by request