C113-0679 Screening compound: N-(3,4-dimethylphenyl)-N-ethyl-2,1,3-benzothiadiazole-4-sulfonamide

C113-0679 Screening compound: N-(3,4-dimethylphenyl)-N-ethyl-2,1,3-benzothiadiazole-4-sulfonamide
C113-0679 Screening compound: N-(3,4-dimethylphenyl)-N-ethyl-2,1,3-benzothiadiazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C113-0679
N-(3,4-dimethylphenyl)-N-ethyl-2,1,3-benzothiadiazole-4-sulfonamide

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

C113-0679

Molecular Formula

C16H17N3O2S2 (C16 H17 N3 O2 S2)

Compound Name

N-(3,4-dimethylphenyl)-N-ethyl-2,1,3-benzothiadiazole-4-sulfonamide

IUPAC name

N-(34-dimethylphenyl)-N-ethyl-213-benzothiadiazole-4-sulfonamide

SMILES

CCN(c1cc(C)c(C)cc1)S(c1cccc2nsnc12)(=O)=O

InChI

InChI=1S/C16H17N3O2S2/c1-4-19(13-9-8-11(2)12(3)10-13)23(20,21)15-7-5-6-14-16(15)18-22-17-14/h5-10H,4H2,1-3H3

InChI Key

ANDSQYNNTRMVSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.334

Distribution Coefficient, logD

4.334

Water Solubility, LogSw

-4.33

Polar Surface Area

52.741

Acid Dissociation Constant (pKa)

26.77

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C113-0679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C113-0679?
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What is the minimum amount of C113-0679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C113-0679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C113-0679
  • 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 C113-0679 available by request