1216-0066 Screening compound: 1-nitro-4-octadecylbenzene

1216-0066 Screening compound: 1-nitro-4-octadecylbenzene
1216-0066 Screening compound: 1-nitro-4-octadecylbenzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 1216-0066
1-nitro-4-octadecylbenzene

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

1216-0066

Molecular Formula

C24H41NO2 (C24 H41 NO2)

Compound Name

1-nitro-4-octadecylbenzene

IUPAC name

1-nitro-4-octadecylbenzene

SMILES

CCCCCCCCCCCCCCCCCCc(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-24(22-20-23)25(26)27/h19-22H,2-18H2,1H3

InChI Key

XDWOIFDLFOKUTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

11.086

Distribution Coefficient, logD

11.086

Water Solubility, LogSw

-5.96

Polar Surface Area

33.620

Acid Dissociation Constant (pKa)

26.71

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

75.00

1216-0066 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

STING Agonist Library (5895 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Others
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1216-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1216-0066?
Check Price and Availability of 1216-0066, 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 1216-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1216-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1216-0066
  • 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 1216-0066 available by request