3159-1028 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-(piperidin-1-yl)aniline

3159-1028 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-(piperidin-1-yl)aniline
3159-1028 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-(piperidin-1-yl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3159-1028
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-(piperidin-1-yl)aniline

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

3159-1028

Molecular Formula

C21H27N3O4 (C21 H27 N3 O4)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-(piperidin-1-yl)aniline

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-nitro-5-(piperidin-1-yl)aniline

SMILES

COc(ccc(CCNc(cc(cc1)N2CCCCC2)c1[N+]([O-])=O)c1)c1OC

InChI

InChI=1S/C21H27N3O4/c1-27-20-9-6-16(14-21(20)28-2)10-11-22-18-15-17(7-8-19(18)24(25)26)23-12-4-3-5-13-23/h6-9,14-15,22H,3-5,10-13H2,1-2H3

InChI Key

LCRPOXALAXQFAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.825

Distribution Coefficient, logD

3.825

Water Solubility, LogSw

-4.04

Polar Surface Area

61.411

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 3159-1028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3159-1028?
Check Price and Availability of 3159-1028, 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 3159-1028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3159-1028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3159-1028
  • 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 3159-1028 available by request