8014-6882 Screening compound: phenyl 5-nitro-2-piperidinobenzoate

8014-6882 Screening compound: phenyl 5-nitro-2-piperidinobenzoate
8014-6882 Screening compound: phenyl 5-nitro-2-piperidinobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-6882
phenyl 5-nitro-2-piperidinobenzoate

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

8014-6882

Molecular Formula

C18H18N2O4 (C18 H18 N2 O4)

Compound Name

phenyl 5-nitro-2-piperidinobenzoate

IUPAC name

phenyl 5-nitro-2-(piperidin-1-yl)benzoate

SMILES

[O-][N+](c(cc1)cc(C(Oc2ccccc2)=O)c1N1CCCCC1)=O

InChI

InChI=1S/C18H18N2O4/c21-18(24-15-7-3-1-4-8-15)16-13-14(20(22)23)9-10-17(16)19-11-5-2-6-12-19/h1,3-4,7-10,13H,2,5-6,11-12H2

InChI Key

KEXJSGLWSDZYMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03819432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.316

Distribution Coefficient, logD

4.316

Water Solubility, LogSw

-4.33

Polar Surface Area

57.149

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

References: we are preparing a list of scientific research reports with 8014-6882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-6882?
Check Price and Availability of 8014-6882, 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 8014-6882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-6882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-6882
  • 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 8014-6882 available by request