8002-7859 Screening compound: N1,N3-dibenzyl-4-methoxybenzene-1,3-disulfonamide

8002-7859 Screening compound: N1,N3-dibenzyl-4-methoxybenzene-1,3-disulfonamide
8002-7859 Screening compound: N1,N3-dibenzyl-4-methoxybenzene-1,3-disulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-7859
N1,N3-dibenzyl-4-methoxybenzene-1,3-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

8002-7859

Molecular Formula

C21H22N2O5S2 (C21 H22 N2 O5 S2)

Compound Name

N1,N3-dibenzyl-4-methoxybenzene-1,3-disulfonamide

IUPAC name

N1N3-dibenzyl-4-methoxybenzene-13-disulfonamide

SMILES

COc(ccc(S(NCc1ccccc1)(=O)=O)c1)c1S(NCc1ccccc1)(=O)=O

InChI

InChI=1S/C21H22N2O5S2/c1-28-20-13-12-19(29(24,25)22-15-17-8-4-2-5-9-17)14-21(20)30(26,27)23-16-18-10-6-3-7-11-18/h2-14,22-23H,15-16H2,1H3

InChI Key

CIUJGIUTKOQQHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00742526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.650

Distribution Coefficient, logD

3.648

Water Solubility, LogSw

-3.92

Polar Surface Area

91.385

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

-6.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8002-7859 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Nuclear receptors
  • Others
  • Proteases
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 8002-7859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-7859?
Check Price and Availability of 8002-7859, 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 8002-7859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-7859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-7859
  • 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 8002-7859 available by request