6006-0051 Screening compound: N~2~,N~8~-bis(tetrahydro-2-furanylmethyl)dibenzo[b,d]furan-2,8-disulfonamide

6006-0051 Screening compound: N~2~,N~8~-bis(tetrahydro-2-furanylmethyl)dibenzo[b,d]furan-2,8-disulfonamide
6006-0051 Screening compound: N~2~,N~8~-bis(tetrahydro-2-furanylmethyl)dibenzo[b,d]furan-2,8-disulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6006-0051
N~2~,N~8~-bis(tetrahydro-2-furanylmethyl)dibenzo[b,d]furan-2,8-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

6006-0051

Molecular Formula

C22H26N2O7S2 (C22 H26 N2 O7 S2)

Compound Name

N~2~,N~8~-bis(tetrahydro-2-furanylmethyl)dibenzo[b,d]furan-2,8-disulfonamide

IUPAC name

N4N12-bis[(oxolan-2-yl)methyl]-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2461012-hexaene-412-disulfonamide

SMILES

O=S(c(cc1)cc2c1oc(cc1)c2cc1S(NCC1OCCC1)(=O)=O)(NCC1OCCC1)=O

InChI

InChI=1S/C22H26N2O7S2/c25-32(26,23-13-15-3-1-9-29-15)17-5-7-21-19(11-17)20-12-18(6-8-22(20)31-21)33(27,28)24-14-16-4-2-10-30-16/h5-8,11-12,15-16,23-24H,1-4,9-10,13-14H2

InChI Key

FJHMZIIXSBMUHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03876424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.59

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.700

Distribution Coefficient, logD

2.700

Water Solubility, LogSw

-3.05

Polar Surface Area

108.978

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

-6.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.50

6006-0051 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6006-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6006-0051?
Check Price and Availability of 6006-0051, 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 6006-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6006-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6006-0051
  • 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 6006-0051 available by request