6049-0369 Screening compound: 1,4-bis(2,5-dimethoxybenzenesulfonyl)-1,4-diazepane

6049-0369 Screening compound: 1,4-bis(2,5-dimethoxybenzenesulfonyl)-1,4-diazepane
6049-0369 Screening compound: 1,4-bis(2,5-dimethoxybenzenesulfonyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-0369
1,4-bis(2,5-dimethoxybenzenesulfonyl)-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

6049-0369

Molecular Formula

C21H28N2O8S2 (C21 H28 N2 O8 S2)

Compound Name

1,4-bis(2,5-dimethoxybenzenesulfonyl)-1,4-diazepane

IUPAC name

14-bis(25-dimethoxybenzenesulfonyl)-14-diazepane

SMILES

COc(cc1)cc(S(N(CCC2)CCN2S(c(cc(cc2)OC)c2OC)(=O)=O)(=O)=O)c1OC

InChI

InChI=1S/C21H28N2O8S2/c1-28-16-6-8-18(30-3)20(14-16)32(24,25)22-10-5-11-23(13-12-22)33(26,27)21-15-17(29-2)7-9-19(21)31-4/h6-9,14-15H,5,10-13H2,1-4H3

InChI Key

ODCDWNCMOMTIIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03466591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.59

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.260

Distribution Coefficient, logD

2.260

Water Solubility, LogSw

-2.63

Polar Surface Area

94.148

Acid Dissociation Constant (pKa)

27.38

Base Dissociation Constant (pKb)

-5.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

6049-0369 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6049-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-0369?
Check Price and Availability of 6049-0369, 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 6049-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-0369
  • 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 6049-0369 available by request