8009-6542 Screening compound: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-nitrobenzoate

8009-6542 Screening compound: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-nitrobenzoate
8009-6542 Screening compound: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-6542
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-nitrobenzoate

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

8009-6542

Molecular Formula

C18H18N3O5 (C18 H18 N3 O5)

Compound Name

2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-nitrobenzoate

IUPAC name

2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-nitrobenzoate

SMILES

COc(cccc1)c1N(CC1)CCN1c(ccc([N+]([O-])=O)c1)c1C([O-])=O

InChI

InChI=1S/C18H19N3O5/c1-26-17-5-3-2-4-16(17)20-10-8-19(9-11-20)15-7-6-13(21(24)25)12-14(15)18(22)23/h2-7,12H,8-11H2,1H3,(H,22,23)/p-1

InChI Key

JFFYHMXFECZUKA-UHFFFAOYSA-M

MDL Number (MFCD)

MFCD01819513

Chemical and Physical Properties

Saltdata

NH4+

Molecular Weight

356.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.325

Distribution Coefficient, logD

3.325

Water Solubility, LogSw

-3.72

Polar Surface Area

75.769

Acid Dissociation Constant (pKa)

28.08

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

8009-6542 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8009-6542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-6542?
Check Price and Availability of 8009-6542, 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 8009-6542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-6542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-6542
  • 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 8009-6542 available by request