3508-1345 Screening compound: methyl 2-(4-benzylpiperazin-1-yl)-5-nitrobenzoate

3508-1345 Screening compound: methyl 2-(4-benzylpiperazin-1-yl)-5-nitrobenzoate
3508-1345 Screening compound: methyl 2-(4-benzylpiperazin-1-yl)-5-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3508-1345
methyl 2-(4-benzylpiperazin-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

3508-1345

Molecular Formula

C19H21N3O4 (C19 H21 N3 O4)

Compound Name

methyl 2-(4-benzylpiperazin-1-yl)-5-nitrobenzoate

IUPAC name

methyl 2-(4-benzylpiperazin-1-yl)-5-nitrobenzoate

SMILES

COC(c(cc(cc1)[N+]([O-])=O)c1N1CCN(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C19H21N3O4/c1-26-19(23)17-13-16(22(24)25)7-8-18(17)21-11-9-20(10-12-21)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3

InChI Key

YLJPMKACPODZQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02643034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.214

Distribution Coefficient, logD

3.069

Water Solubility, LogSw

-3.62

Polar Surface Area

61.486

Acid Dissociation Constant (pKa)

27.97

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

3508-1345 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

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 3508-1345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3508-1345?
Check Price and Availability of 3508-1345, 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 3508-1345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3508-1345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3508-1345
  • 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 3508-1345 available by request