8004-3908 Screening compound: 2-hydroxy-5-nitro-N-[2-(octadecylsulfanyl)ethyl]benzamide

8004-3908 Screening compound: 2-hydroxy-5-nitro-N-[2-(octadecylsulfanyl)ethyl]benzamide
8004-3908 Screening compound: 2-hydroxy-5-nitro-N-[2-(octadecylsulfanyl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-3908
2-hydroxy-5-nitro-N-[2-(octadecylsulfanyl)ethyl]benzamide

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

8004-3908

Molecular Formula

C27H46N2O4S (C27 H46 N2 O4 S)

Compound Name

2-hydroxy-5-nitro-N-[2-(octadecylsulfanyl)ethyl]benzamide

IUPAC name

2-hydroxy-5-nitro-N-[2-(octadecylsulfanyl)ethyl]benzamide

SMILES

CCCCCCCCCCCCCCCCCCSCCNC(c(cc(cc1)[N+]([O-])=O)c1O)=O

InChI

InChI=1S/C27H46N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-34-22-20-28-27(31)25-23-24(29(32)33)18-19-26(25)30/h18-19,23,30H,2-17,20-22H2,1H3,(H,28,31)

InChI Key

XFJGJDLLQMPMOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00787870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.74

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

23.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

10.805

Distribution Coefficient, logD

9.768

Water Solubility, LogSw

-5.51

Polar Surface Area

74.694

Acid Dissociation Constant (pKa)

6.40

Base Dissociation Constant (pKb)

-3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

74.10

8004-3908 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8004-3908 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-3908?
Check Price and Availability of 8004-3908, 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 8004-3908 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-3908
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-3908
  • 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 8004-3908 available by request