D216-0742 Screening compound: N1-[(2-chlorophenyl)methyl]-N1-[(furan-2-yl)methyl]-N4,N4-dimethylbenzene-1,4-disulfonamide

D216-0742 Screening compound: N1-[(2-chlorophenyl)methyl]-N1-[(furan-2-yl)methyl]-N4,N4-dimethylbenzene-1,4-disulfonamide
D216-0742 Screening compound: N1-[(2-chlorophenyl)methyl]-N1-[(furan-2-yl)methyl]-N4,N4-dimethylbenzene-1,4-disulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0742
N1-[(2-chlorophenyl)methyl]-N1-[(furan-2-yl)methyl]-N4,N4-dimethylbenzene-1,4-disulfonamide

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

D216-0742

Molecular Formula

C20H21ClN2O5S2 (C20 H21 ClN2 O5 S2)

Compound Name

N1-[(2-chlorophenyl)methyl]-N1-[(furan-2-yl)methyl]-N4,N4-dimethylbenzene-1,4-disulfonamide

IUPAC name

N1-[(2-chlorophenyl)methyl]-N1-[(furan-2-yl)methyl]-N4N4-dimethylbenzene-14-disulfonamide

SMILES

CN(C)S(c(cc1)ccc1S(N(Cc1ccco1)Cc(cccc1)c1Cl)(=O)=O)(=O)=O

InChI

InChI=1S/C20H21ClN2O5S2/c1-22(2)29(24,25)18-9-11-19(12-10-18)30(26,27)23(15-17-7-5-13-28-17)14-16-6-3-4-8-20(16)21/h3-13H,14-15H2,1-2H3

InChI Key

CQGWHKIAJBIYLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03736967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.98

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.946

Distribution Coefficient, logD

3.946

Water Solubility, LogSw

-4.14

Polar Surface Area

72.755

Acid Dissociation Constant (pKa)

25.59

Base Dissociation Constant (pKb)

-4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D216-0742 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D216-0742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0742?
Check Price and Availability of D216-0742, 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 D216-0742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0742
  • 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 D216-0742 available by request