C085-0873 Screening compound: 1-(2,5-dimethoxybenzenesulfonyl)-4-(furan-2-carbonyl)piperazine

C085-0873 Screening compound: 1-(2,5-dimethoxybenzenesulfonyl)-4-(furan-2-carbonyl)piperazine
C085-0873 Screening compound: 1-(2,5-dimethoxybenzenesulfonyl)-4-(furan-2-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C085-0873
1-(2,5-dimethoxybenzenesulfonyl)-4-(furan-2-carbonyl)piperazine

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

C085-0873

Molecular Formula

C17H20N2O6S (C17 H20 N2 O6 S)

Compound Name

1-(2,5-dimethoxybenzenesulfonyl)-4-(furan-2-carbonyl)piperazine

IUPAC name

1-(25-dimethoxybenzenesulfonyl)-4-(furan-2-carbonyl)piperazine

SMILES

COc(cc1)cc(S(N(CC2)CCN2C(c2ccco2)=O)(=O)=O)c1OC

InChI

InChI=1S/C17H20N2O6S/c1-23-13-5-6-14(24-2)16(12-13)26(21,22)19-9-7-18(8-10-19)17(20)15-4-3-11-25-15/h3-6,11-12H,7-10H2,1-2H3

InChI Key

RDHLLMJTHXLSSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03466584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.402

Distribution Coefficient, logD

1.402

Water Solubility, LogSw

-2.31

Polar Surface Area

72.158

Acid Dissociation Constant (pKa)

28.33

Base Dissociation Constant (pKb)

-3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

C085-0873 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C085-0873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C085-0873?
Check Price and Availability of C085-0873, 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 C085-0873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C085-0873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C085-0873
  • 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 C085-0873 available by request