C521-2168 Screening compound: 5-[(2,6-dichlorobenzenesulfonyl)methyl]-N-[3-(dipropylamino)propyl]furan-2-carboxamide

C521-2168 Screening compound: 5-[(2,6-dichlorobenzenesulfonyl)methyl]-N-[3-(dipropylamino)propyl]furan-2-carboxamide
C521-2168 Screening compound: 5-[(2,6-dichlorobenzenesulfonyl)methyl]-N-[3-(dipropylamino)propyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C521-2168
5-[(2,6-dichlorobenzenesulfonyl)methyl]-N-[3-(dipropylamino)propyl]furan-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

C521-2168

Molecular Formula

C21H28Cl2N2O4S (C21 H28 Cl2 N2 O4 S)

Compound Name

5-[(2,6-dichlorobenzenesulfonyl)methyl]-N-[3-(dipropylamino)propyl]furan-2-carboxamide

IUPAC name

5-[(26-dichlorobenzenesulfonyl)methyl]-N-[3-(dipropylamino)propyl]furan-2-carboxamide

SMILES

CCCN(CCC)CCCNC(c1ccc(CS(c(c(Cl)ccc2)c2Cl)(=O)=O)o1)=O

InChI

InChI=1S/C21H28Cl2N2O4S/c1-3-12-25(13-4-2)14-6-11-24-21(26)19-10-9-16(29-19)15-30(27,28)20-17(22)7-5-8-18(20)23/h5,7-10H,3-4,6,11-15H2,1-2H3,(H,24,26)

InChI Key

XZENHNWEAKIQGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14765611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.955

Distribution Coefficient, logD

1.196

Water Solubility, LogSw

-4.13

Polar Surface Area

65.289

Acid Dissociation Constant (pKa)

14.84

Base Dissociation Constant (pKb)

10.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

C521-2168 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 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 C521-2168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C521-2168?
Check Price and Availability of C521-2168, 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 C521-2168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C521-2168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C521-2168
  • 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 C521-2168 available by request