6040-3574 Screening compound: 3-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-benzothiophene-2-carboxamide

6040-3574 Screening compound: 3-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-benzothiophene-2-carboxamide
6040-3574 Screening compound: 3-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6040-3574
3-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-benzothiophene-2-carboxamide

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

6040-3574

Molecular Formula

C20H21ClN2O4S2 (C20 H21 ClN2 O4 S2)

Compound Name

3-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-benzothiophene-2-carboxamide

IUPAC name

3-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-benzothiophene-2-carboxamide

SMILES

CCN(CC)S(c(cc1)cc(NC(c(sc2c3cccc2)c3Cl)=O)c1OC)(=O)=O

InChI

InChI=1S/C20H21ClN2O4S2/c1-4-23(5-2)29(25,26)13-10-11-16(27-3)15(12-13)22-20(24)19-18(21)14-8-6-7-9-17(14)28-19/h6-12H,4-5H2,1-3H3,(H,22,24)

InChI Key

IMLNCXZYNZBPCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03638859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.522

Distribution Coefficient, logD

4.337

Water Solubility, LogSw

-4.80

Polar Surface Area

62.105

Acid Dissociation Constant (pKa)

7.67

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6040-3574 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 6040-3574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6040-3574?
Check Price and Availability of 6040-3574, 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 6040-3574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6040-3574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6040-3574
  • 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 6040-3574 available by request