6113-2682 Screening compound: 4-methoxy-N-(2-{[(thiophen-2-yl)methyl]sulfanyl}ethyl)benzene-1-sulfonamide

6113-2682 Screening compound: 4-methoxy-N-(2-{[(thiophen-2-yl)methyl]sulfanyl}ethyl)benzene-1-sulfonamide
6113-2682 Screening compound: 4-methoxy-N-(2-{[(thiophen-2-yl)methyl]sulfanyl}ethyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6113-2682
4-methoxy-N-(2-{[(thiophen-2-yl)methyl]sulfanyl}ethyl)benzene-1-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

6113-2682

Molecular Formula

C14H17NO3S3 (C14 H17 NO3 S3)

Compound Name

4-methoxy-N-(2-{[(thiophen-2-yl)methyl]sulfanyl}ethyl)benzene-1-sulfonamide

IUPAC name

4-methoxy-N-(2-{[(thiophen-2-yl)methyl]sulfanyl}ethyl)benzene-1-sulfonamide

SMILES

COc(cc1)ccc1S(NCCSCc1cccs1)(=O)=O

InChI

InChI=1S/C14H17NO3S3/c1-18-12-4-6-14(7-5-12)21(16,17)15-8-10-19-11-13-3-2-9-20-13/h2-7,9,15H,8,10-11H2,1H3

InChI Key

SIQXZMNYUPPNRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03083295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.450

Distribution Coefficient, logD

3.450

Water Solubility, LogSw

-3.70

Polar Surface Area

50.400

Acid Dissociation Constant (pKa)

11.90

Base Dissociation Constant (pKb)

-5.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

6113-2682 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 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 6113-2682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6113-2682?
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What is the minimum amount of 6113-2682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6113-2682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6113-2682
  • 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 6113-2682 available by request