0199-0046 Screening compound: 1,4-bis[4-(nonyloxy)benzoyl]piperazine

0199-0046 Screening compound: 1,4-bis[4-(nonyloxy)benzoyl]piperazine
0199-0046 Screening compound: 1,4-bis[4-(nonyloxy)benzoyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0199-0046
1,4-bis[4-(nonyloxy)benzoyl]piperazine

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

0199-0046

Molecular Formula

C36H54N2O4 (C36 H54 N2 O4)

Compound Name

1,4-bis[4-(nonyloxy)benzoyl]piperazine

IUPAC name

14-bis[4-(nonyloxy)benzoyl]piperazine

SMILES

CCCCCCCCCOc(cc1)ccc1C(N(CC1)CCN1C(c(cc1)ccc1OCCCCCCCCC)=O)=O

InChI

InChI=1S/C36H54N2O4/c1-3-5-7-9-11-13-15-29-41-33-21-17-31(18-22-33)35(39)37-25-27-38(28-26-37)36(40)32-19-23-34(24-20-32)42-30-16-14-12-10-8-6-4-2/h17-24H,3-16,25-30H2,1-2H3

InChI Key

VCTHCDKEYFOEON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00307615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

578.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

22.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

9.825

Distribution Coefficient, logD

9.825

Water Solubility, LogSw

-5.83

Polar Surface Area

48.178

Acid Dissociation Constant (pKa)

27.86

Base Dissociation Constant (pKb)

-5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

0199-0046 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0199-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0199-0046?
Check Price and Availability of 0199-0046, 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 0199-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0199-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0199-0046
  • 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 0199-0046 available by request