2187-1563 Screening compound: 4-[bis(2-methoxyethyl)sulfamoyl]-N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}benzamide

2187-1563 Screening compound: 4-[bis(2-methoxyethyl)sulfamoyl]-N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}benzamide
2187-1563 Screening compound: 4-[bis(2-methoxyethyl)sulfamoyl]-N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2187-1563
4-[bis(2-methoxyethyl)sulfamoyl]-N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}benzamide

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

2187-1563

Molecular Formula

C21H25N3O5S2 (C21 H25 N3 O5 S2)

Compound Name

4-[bis(2-methoxyethyl)sulfamoyl]-N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}benzamide

IUPAC name

4-[bis(2-methoxyethyl)sulfamoyl]-N-{3-cyano-4H5H6H-cyclopenta[b]thiophen-2-yl}benzamide

SMILES

COCCN(CCOC)S(c(cc1)ccc1C(Nc(sc1c2CCC1)c2C#N)=O)(=O)=O

InChI

InChI=1S/C21H25N3O5S2/c1-28-12-10-24(11-13-29-2)31(26,27)16-8-6-15(7-9-16)20(25)23-21-18(14-22)17-4-3-5-19(17)30-21/h6-9H,3-5,10-13H2,1-2H3,(H,23,25)

InChI Key

QTFVUJGZGVAKRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02926597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.556

Distribution Coefficient, logD

-0.575

Water Solubility, LogSw

-2.89

Polar Surface Area

88.755

Acid Dissociation Constant (pKa)

4.27

Base Dissociation Constant (pKb)

-5.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

2187-1563 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2187-1563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2187-1563?
Check Price and Availability of 2187-1563, 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 2187-1563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2187-1563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2187-1563
  • 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 2187-1563 available by request