4262-0378 Screening compound: 2,6-dimethoxy-4-({4-[(4-nitrophenyl)methyl]piperazin-1-yl}methyl)phenol

4262-0378 Screening compound: 2,6-dimethoxy-4-({4-[(4-nitrophenyl)methyl]piperazin-1-yl}methyl)phenol
4262-0378 Screening compound: 2,6-dimethoxy-4-({4-[(4-nitrophenyl)methyl]piperazin-1-yl}methyl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4262-0378
2,6-dimethoxy-4-({4-[(4-nitrophenyl)methyl]piperazin-1-yl}methyl)phenol

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

4262-0378

Molecular Formula

C20H25N3O5 (C20 H25 N3 O5)

Compound Name

2,6-dimethoxy-4-({4-[(4-nitrophenyl)methyl]piperazin-1-yl}methyl)phenol

IUPAC name

26-dimethoxy-4-({4-[(4-nitrophenyl)methyl]piperazin-1-yl}methyl)phenol

SMILES

COc1cc(CN2CCN(Cc(cc3)ccc3[N+]([O-])=O)CC2)cc(OC)c1O

InChI

InChI=1S/C20H25N3O5/c1-27-18-11-16(12-19(28-2)20(18)24)14-22-9-7-21(8-10-22)13-15-3-5-17(6-4-15)23(25)26/h3-6,11-12,24H,7-10,13-14H2,1-2H3

InChI Key

QYBSQGCHCHMSIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02825865

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

387.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.834

Distribution Coefficient, logD

-0.537

Water Solubility, LogSw

-1.91

Polar Surface Area

71.633

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

10.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 4262-0378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4262-0378?
Check Price and Availability of 4262-0378, 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 4262-0378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4262-0378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4262-0378
  • 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 4262-0378 available by request