8004-3913 Screening compound: (Z)-[2-(hexadecylsulfanyl)ethyl][(3-nitrophenyl)methylidene]amine

8004-3913 Screening compound: (Z)-[2-(hexadecylsulfanyl)ethyl][(3-nitrophenyl)methylidene]amine
8004-3913 Screening compound: (Z)-[2-(hexadecylsulfanyl)ethyl][(3-nitrophenyl)methylidene]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-3913
(Z)-[2-(hexadecylsulfanyl)ethyl][(3-nitrophenyl)methylidene]amine

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

8004-3913

Molecular Formula

C25H42N2O2S (C25 H42 N2 O2 S)

Compound Name

(Z)-[2-(hexadecylsulfanyl)ethyl][(3-nitrophenyl)methylidene]amine

IUPAC name

(Z)-[2-(hexadecylsulfanyl)ethyl][(3-nitrophenyl)methylidene]amine

SMILES

CCCCCCCCCCCCCCCCSCC/N=C\c1cc([N+]([O-])=O)ccc1

InChI

InChI=1S/C25H42N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-30-21-19-26-23-24-17-16-18-25(22-24)27(28)29/h16-18,22-23H,2-15,19-21H2,1H3

InChI Key

LCDSNUKHZHWNBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00787873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.69

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

20.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

9.927

Distribution Coefficient, logD

9.926

Water Solubility, LogSw

-5.88

Polar Surface Area

42.395

Acid Dissociation Constant (pKa)

28.33

Base Dissociation Constant (pKb)

4.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.00

8004-3913 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8004-3913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-3913?
Check Price and Availability of 8004-3913, 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 8004-3913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-3913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-3913
  • 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 8004-3913 available by request