8016-8166 Screening compound: N~4~-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-pyrazole-4-sulfonamide

8016-8166 Screening compound: N~4~-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-pyrazole-4-sulfonamide
8016-8166 Screening compound: N~4~-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-pyrazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8166
N~4~-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-pyrazole-4-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

8016-8166

Molecular Formula

C13H15N3O4S (C13 H15 N3 O4 S)

Compound Name

N~4~-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-pyrazole-4-sulfonamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-1-ethyl-1H-pyrazole-4-sulfonamide

SMILES

CCn1ncc(S(Nc(cc2)cc3c2OCCO3)(=O)=O)c1

InChI

InChI=1S/C13H15N3O4S/c1-2-16-9-11(8-14-16)21(17,18)15-10-3-4-12-13(7-10)20-6-5-19-12/h3-4,7-9,15H,2,5-6H2,1H3

InChI Key

IUFAEGAKOYDKED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05115992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.374

Distribution Coefficient, logD

0.370

Water Solubility, LogSw

-2.39

Polar Surface Area

71.213

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

References: we are preparing a list of scientific research reports with 8016-8166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8166?
Check Price and Availability of 8016-8166, 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 8016-8166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8166
  • 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 8016-8166 available by request