8017-3455 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-ethoxy-3-(propan-2-yl)benzene-1-sulfonamide

8017-3455 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-ethoxy-3-(propan-2-yl)benzene-1-sulfonamide
8017-3455 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-ethoxy-3-(propan-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3455
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-ethoxy-3-(propan-2-yl)benzene-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

8017-3455

Molecular Formula

C19H23NO5S (C19 H23 NO5 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-ethoxy-3-(propan-2-yl)benzene-1-sulfonamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-ethoxy-3-(propan-2-yl)benzene-1-sulfonamide

SMILES

CCOc(cc1)c(C(C)C)cc1S(NCc(cc1)cc2c1OCO2)(=O)=O

InChI

InChI=1S/C19H23NO5S/c1-4-23-17-8-6-15(10-16(17)13(2)3)26(21,22)20-11-14-5-7-18-19(9-14)25-12-24-18/h5-10,13,20H,4,11-12H2,1-3H3

InChI Key

DLIVPTPCCPGYOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.352

Distribution Coefficient, logD

4.352

Water Solubility, LogSw

-4.26

Polar Surface Area

66.322

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

-2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

8017-3455 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8017-3455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3455?
Check Price and Availability of 8017-3455, 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 8017-3455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3455
  • 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 8017-3455 available by request