0199-0047 Screening compound: 2-(4-{2-[4-(nonyloxy)benzoyloxy]ethyl}piperazin-1-yl)ethyl 4-(nonyloxy)benzoate

0199-0047 Screening compound: 2-(4-{2-[4-(nonyloxy)benzoyloxy]ethyl}piperazin-1-yl)ethyl 4-(nonyloxy)benzoate
0199-0047 Screening compound: 2-(4-{2-[4-(nonyloxy)benzoyloxy]ethyl}piperazin-1-yl)ethyl 4-(nonyloxy)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0199-0047
2-(4-{2-[4-(nonyloxy)benzoyloxy]ethyl}piperazin-1-yl)ethyl 4-(nonyloxy)benzoate

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

0199-0047

Molecular Formula

C40H62N2O6 (C40 H62 N2 O6)

Compound Name

2-(4-{2-[4-(nonyloxy)benzoyloxy]ethyl}piperazin-1-yl)ethyl 4-(nonyloxy)benzoate

IUPAC name

2-(4-{2-[4-(nonyloxy)benzoyloxy]ethyl}piperazin-1-yl)ethyl 4-(nonyloxy)benzoate

SMILES

CCCCCCCCCOc(cc1)ccc1C(OCCN1CCN(CCOC(c(cc2)ccc2OCCCCCCCCC)=O)CC1)=O

InChI

InChI=1S/C40H62N2O6/c1-3-5-7-9-11-13-15-31-45-37-21-17-35(18-22-37)39(43)47-33-29-41-25-27-42(28-26-41)30-34-48-40(44)36-19-23-38(24-20-36)46-32-16-14-12-10-8-6-4-2/h17-24H,3-16,25-34H2,1-2H3

InChI Key

LNEAPOGVYRRZPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02084056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

666.94

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

28.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

11.744

Distribution Coefficient, logD

11.705

Water Solubility, LogSw

-5.81

Polar Surface Area

64.399

Acid Dissociation Constant (pKa)

27.86

Base Dissociation Constant (pKb)

6.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

0199-0047 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0199-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0199-0047?
Check Price and Availability of 0199-0047, 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 0199-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0199-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0199-0047
  • 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 0199-0047 available by request