3346-4407 Screening compound: N-[(E)-[(benzenesulfonyl)imino](phenyl)methyl]-1-(cyclohexyloxy)methanethioamide

3346-4407 Screening compound: N-[(E)-[(benzenesulfonyl)imino](phenyl)methyl]-1-(cyclohexyloxy)methanethioamide
3346-4407 Screening compound: N-[(E)-[(benzenesulfonyl)imino](phenyl)methyl]-1-(cyclohexyloxy)methanethioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3346-4407
N-[(E)-[(benzenesulfonyl)imino](phenyl)methyl]-1-(cyclohexyloxy)methanethioamide

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

3346-4407

Molecular Formula

C20H22N2O3S2 (C20 H22 N2 O3 S2)

Compound Name

N-[(E)-[(benzenesulfonyl)imino](phenyl)methyl]-1-(cyclohexyloxy)methanethioamide

IUPAC name

N-[(E)-[(benzenesulfonyl)imino](phenyl)methyl]-1-(cyclohexyloxy)methanethioamide

SMILES

O=S(c1ccccc1)(/N=C(\c1ccccc1)/NC(OC1CCCCC1)=S)=O

InChI

InChI=1S/C20H22N2O3S2/c23-27(24,18-14-8-3-9-15-18)22-19(16-10-4-1-5-11-16)21-20(26)25-17-12-6-2-7-13-17/h1,3-5,8-11,14-15,17H,2,6-7,12-13H2,(H,21,22,26)

InChI Key

JXXWKKXISQUARZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00196598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.803

Distribution Coefficient, logD

4.192

Water Solubility, LogSw

-4.69

Polar Surface Area

56.522

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

3346-4407 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3346-4407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3346-4407?
Check Price and Availability of 3346-4407, 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 3346-4407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3346-4407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3346-4407
  • 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 3346-4407 available by request