6049-2041 Screening compound: 1,4-bis(4-methoxybenzenesulfonyl)-1,4-diazepane

6049-2041 Screening compound: 1,4-bis(4-methoxybenzenesulfonyl)-1,4-diazepane
6049-2041 Screening compound: 1,4-bis(4-methoxybenzenesulfonyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-2041
1,4-bis(4-methoxybenzenesulfonyl)-1,4-diazepane

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

6049-2041

Molecular Formula

C19H24N2O6S2 (C19 H24 N2 O6 S2)

Compound Name

1,4-bis(4-methoxybenzenesulfonyl)-1,4-diazepane

IUPAC name

14-bis(4-methoxybenzenesulfonyl)-14-diazepane

SMILES

COc(cc1)ccc1S(N(CCC1)CCN1S(c(cc1)ccc1OC)(=O)=O)(=O)=O

InChI

InChI=1S/C19H24N2O6S2/c1-26-16-4-8-18(9-5-16)28(22,23)20-12-3-13-21(15-14-20)29(24,25)19-10-6-17(27-2)7-11-19/h4-11H,3,12-15H2,1-2H3

InChI Key

LCVQKFRSZQUXJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03403970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.583

Distribution Coefficient, logD

2.583

Water Solubility, LogSw

-2.77

Polar Surface Area

78.887

Acid Dissociation Constant (pKa)

27.38

Base Dissociation Constant (pKb)

-7.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

6049-2041 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Autophagy-Targeted Library (4564 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6049-2041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-2041?
Check Price and Availability of 6049-2041, 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 6049-2041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-2041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-2041
  • 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 6049-2041 available by request