2460-0815 Screening compound: N-benzyl-5-(3-methylpiperazin-1-yl)-2-nitroaniline

2460-0815 Screening compound: N-benzyl-5-(3-methylpiperazin-1-yl)-2-nitroaniline
2460-0815 Screening compound: N-benzyl-5-(3-methylpiperazin-1-yl)-2-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 2460-0815
N-benzyl-5-(3-methylpiperazin-1-yl)-2-nitroaniline

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

2460-0815

Molecular Formula

C18H22N4O2 (C18 H22 N4 O2)

Compound Name

N-benzyl-5-(3-methylpiperazin-1-yl)-2-nitroaniline

IUPAC name

N-benzyl-5-(3-methylpiperazin-1-yl)-2-nitroaniline

SMILES

CC(C1)NCCN1c(cc1)cc(NCc2ccccc2)c1[N+]([O-])=O

InChI

InChI=1S/C18H22N4O2/c1-14-13-21(10-9-19-14)16-7-8-18(22(23)24)17(11-16)20-12-15-5-3-2-4-6-15/h2-8,11,14,19-20H,9-10,12-13H2,1H3/t14-/m0/s1

InChI Key

HSPWJPJXXCYYMW-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD01580178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.383

Distribution Coefficient, logD

0.433

Water Solubility, LogSw

-2.80

Polar Surface Area

57.853

Acid Dissociation Constant (pKa)

15.62

Base Dissociation Constant (pKb)

9.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 2460-0815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2460-0815?
Check Price and Availability of 2460-0815, 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 2460-0815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2460-0815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2460-0815
  • 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 2460-0815 available by request