4478-3490 Screening compound: N-{4-[(E)-[(2H-1,3-benzodioxol-5-yl)methylidene]amino]benzenesulfonyl}guanidine

4478-3490 Screening compound: N-{4-[(E)-[(2H-1,3-benzodioxol-5-yl)methylidene]amino]benzenesulfonyl}guanidine
4478-3490 Screening compound: N-{4-[(E)-[(2H-1,3-benzodioxol-5-yl)methylidene]amino]benzenesulfonyl}guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-3490
N-{4-[(E)-[(2H-1,3-benzodioxol-5-yl)methylidene]amino]benzenesulfonyl}guanidine

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

4478-3490

Molecular Formula

C15H14N4O4S (C15 H14 N4 O4 S)

Compound Name

N-{4-[(E)-[(2H-1,3-benzodioxol-5-yl)methylidene]amino]benzenesulfonyl}guanidine

IUPAC name

N-{4-[(E)-[(2H-13-benzodioxol-5-yl)methylidene]amino]benzenesulfonyl}guanidine

SMILES

NC(NS(c(cc1)ccc1/N=C/c(cc1)cc2c1OCO2)(=O)=O)=N

InChI

InChI=1S/C15H14N4O4S/c16-15(17)19-24(20,21)12-4-2-11(3-5-12)18-8-10-1-6-13-14(7-10)23-9-22-13/h1-8H,9H2,(H4,16,17,19)

InChI Key

QZVSTHYDTJOIFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01439054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.961

Distribution Coefficient, logD

0.961

Water Solubility, LogSw

-2.45

Polar Surface Area

106.055

Acid Dissociation Constant (pKa)

8.28

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

4478-3490 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4478-3490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-3490?
Check Price and Availability of 4478-3490, 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 4478-3490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-3490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-3490
  • 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 4478-3490 available by request