3346-2047 Screening compound: ethyl 4-[2-hydroxy-3-(2-nitrophenoxy)propyl]piperazine-1-carboxylate

3346-2047 Screening compound: ethyl 4-[2-hydroxy-3-(2-nitrophenoxy)propyl]piperazine-1-carboxylate
3346-2047 Screening compound: ethyl 4-[2-hydroxy-3-(2-nitrophenoxy)propyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3346-2047
ethyl 4-[2-hydroxy-3-(2-nitrophenoxy)propyl]piperazine-1-carboxylate

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

3346-2047

Molecular Formula

C16H23N3O6 (C16 H23 N3 O6)

Compound Name

ethyl 4-[2-hydroxy-3-(2-nitrophenoxy)propyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[2-hydroxy-3-(2-nitrophenoxy)propyl]piperazine-1-carboxylate

SMILES

CCOC(N1CCN(CC(COc(cccc2)c2[N+]([O-])=O)O)CC1)=O

InChI

InChI=1S/C16H23N3O6/c1-2-24-16(21)18-9-7-17(8-10-18)11-13(20)12-25-15-6-4-3-5-14(15)19(22)23/h3-6,13,20H,2,7-12H2,1H3/t13-/m0/s1

InChI Key

HPEAMBFAZMWGFT-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03015860

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

353.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.801

Distribution Coefficient, logD

1.744

Water Solubility, LogSw

-2.05

Polar Surface Area

84.037

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

6.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

3346-2047 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3346-2047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3346-2047?
Check Price and Availability of 3346-2047, 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 3346-2047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3346-2047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3346-2047
  • 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 3346-2047 available by request