C113-0510 Screening compound: N~4~-(4-methylcyclohexyl)-2,1,3-benzothiadiazole-4-sulfonamide

C113-0510 Screening compound: N~4~-(4-methylcyclohexyl)-2,1,3-benzothiadiazole-4-sulfonamide
C113-0510 Screening compound: N~4~-(4-methylcyclohexyl)-2,1,3-benzothiadiazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C113-0510
N~4~-(4-methylcyclohexyl)-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

C113-0510

Molecular Formula

C13H17N3O2S2 (C13 H17 N3 O2 S2)

Compound Name

N~4~-(4-methylcyclohexyl)-2,1,3-benzothiadiazole-4-sulfonamide

IUPAC name

n/a

SMILES

CC(CC1)CCC1NS(c1cccc2nsnc12)(=O)=O

InChI

InChI=1S/C13H17N3O2S2/c1-9-5-7-10(8-6-9)16-20(17,18)12-4-2-3-11-13(12)15-19-14-11/h2-4,9-10,16H,5-8H2,1H3

InChI Key

NSFBGLNFMWEKRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06029388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.721

Distribution Coefficient, logD

3.719

Water Solubility, LogSw

-3.98

Polar Surface Area

62.888

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.85

C113-0510 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 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 C113-0510 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C113-0510?
Check Price and Availability of C113-0510, 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 C113-0510 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C113-0510
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C113-0510
  • 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 C113-0510 available by request