C085-2106 Screening compound: N-(butan-2-yl)-2,5-dimethoxybenzene-1-sulfonamide

C085-2106 Screening compound: N-(butan-2-yl)-2,5-dimethoxybenzene-1-sulfonamide
C085-2106 Screening compound: N-(butan-2-yl)-2,5-dimethoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C085-2106
N-(butan-2-yl)-2,5-dimethoxybenzene-1-sulfonamide

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

C085-2106

Molecular Formula

C12H19NO4S (C12 H19 NO4 S)

Compound Name

N-(butan-2-yl)-2,5-dimethoxybenzene-1-sulfonamide

IUPAC name

N-(butan-2-yl)-25-dimethoxybenzene-1-sulfonamide

SMILES

CCC(C)NS(c(cc(cc1)OC)c1OC)(=O)=O

InChI

InChI=1S/C12H19NO4S/c1-5-9(2)13-18(14,15)12-8-10(16-3)6-7-11(12)17-4/h6-9,13H,5H2,1-4H3/t9-/m0/s1

InChI Key

IHILGOUVTCNKNV-VIFPVBQESA-N

MDL Number (MFCD)

MFCD03828630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.202

Distribution Coefficient, logD

2.202

Water Solubility, LogSw

-2.65

Polar Surface Area

57.097

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

C085-2106 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular

References: we are preparing a list of scientific research reports with C085-2106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C085-2106?
Check Price and Availability of C085-2106, 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 C085-2106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C085-2106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C085-2106
  • 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 C085-2106 available by request