C085-2302 Screening compound: N-(butan-2-yl)-3,4-dimethoxybenzene-1-sulfonamide

C085-2302 Screening compound: N-(butan-2-yl)-3,4-dimethoxybenzene-1-sulfonamide
C085-2302 Screening compound: N-(butan-2-yl)-3,4-dimethoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C085-2302
N-(butan-2-yl)-3,4-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

C085-2302

Molecular Formula

C12H19NO4S (C12 H19 NO4 S)

Compound Name

N-(butan-2-yl)-3,4-dimethoxybenzene-1-sulfonamide

IUPAC name

N-(butan-2-yl)-34-dimethoxybenzene-1-sulfonamide

SMILES

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

InChI

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

InChI Key

QXKJFAONGHTPPZ-VIFPVBQESA-N

MDL Number (MFCD)

MFCD01060628

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

2.098

Distribution Coefficient, logD

2.098

Water Solubility, LogSw

-2.65

Polar Surface Area

57.184

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

-2.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

C085-2302 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C085-2302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C085-2302?
Check Price and Availability of C085-2302, 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 C085-2302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C085-2302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C085-2302
  • 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 C085-2302 available by request