3339-1655 Screening compound: 4-[bis(prop-2-en-1-yl)sulfamoyl]-N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}benzamide

3339-1655 Screening compound: 4-[bis(prop-2-en-1-yl)sulfamoyl]-N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}benzamide
3339-1655 Screening compound: 4-[bis(prop-2-en-1-yl)sulfamoyl]-N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3339-1655
4-[bis(prop-2-en-1-yl)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

3339-1655

Molecular Formula

C21H21N3O3S2 (C21 H21 N3 O3 S2)

Compound Name

4-[bis(prop-2-en-1-yl)sulfamoyl]-N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}benzamide

IUPAC name

4-[bis(prop-2-en-1-yl)sulfamoyl]-N-{3-cyano-4H5H6H-cyclopenta[b]thiophen-2-yl}benzamide

SMILES

C=CCN(CC=C)S(c(cc1)ccc1C(Nc(sc1c2CCC1)c2C#N)=O)(=O)=O

InChI

InChI=1S/C21H21N3O3S2/c1-3-12-24(13-4-2)29(26,27)16-10-8-15(9-11-16)20(25)23-21-18(14-22)17-6-5-7-19(17)28-21/h3-4,8-11H,1-2,5-7,12-13H2,(H,23,25)

InChI Key

ZOXRHHAVQYTFDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03015733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.768

Distribution Coefficient, logD

0.637

Water Solubility, LogSw

-4.40

Polar Surface Area

72.071

Acid Dissociation Constant (pKa)

4.27

Base Dissociation Constant (pKb)

-5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

3339-1655 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 3339-1655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3339-1655?
Check Price and Availability of 3339-1655, 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 3339-1655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3339-1655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3339-1655
  • 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 3339-1655 available by request