C085-2629 Screening compound: 1,4-bis(2,5-dimethoxybenzenesulfonyl)-2,5-dimethylpiperazine

C085-2629 Screening compound: 1,4-bis(2,5-dimethoxybenzenesulfonyl)-2,5-dimethylpiperazine
C085-2629 Screening compound: 1,4-bis(2,5-dimethoxybenzenesulfonyl)-2,5-dimethylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C085-2629
1,4-bis(2,5-dimethoxybenzenesulfonyl)-2,5-dimethylpiperazine

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

C085-2629

Molecular Formula

C22H30N2O8S2 (C22 H30 N2 O8 S2)

Compound Name

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

IUPAC name

14-bis(25-dimethoxybenzenesulfonyl)-25-dimethylpiperazine

SMILES

CC(CN(C(C)C1)S(c(cc(cc2)OC)c2OC)(=O)=O)N1S(c(cc(cc1)OC)c1OC)(=O)=O

InChI

InChI=1S/C22H30N2O8S2/c1-15-13-24(34(27,28)22-12-18(30-4)8-10-20(22)32-6)16(2)14-23(15)33(25,26)21-11-17(29-3)7-9-19(21)31-5/h7-12,15-16H,13-14H2,1-6H3

InChI Key

FBNLGSOYWBEMMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03075085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.62

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

2.782

Distribution Coefficient, logD

2.782

Water Solubility, LogSw

-3.32

Polar Surface Area

93.807

Acid Dissociation Constant (pKa)

26.36

Base Dissociation Constant (pKb)

-5.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.50

C085-2629 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C085-2629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C085-2629?
Check Price and Availability of C085-2629, 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 C085-2629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C085-2629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C085-2629
  • 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 C085-2629 available by request