4299-1921 Screening compound: N-cyclopropyl-5-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-nitroaniline

4299-1921 Screening compound: N-cyclopropyl-5-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-nitroaniline
4299-1921 Screening compound: N-cyclopropyl-5-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4299-1921
N-cyclopropyl-5-[4-(3,4-dimethoxybenzoyl)piperazin-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

4299-1921

Molecular Formula

C22H26N4O5 (C22 H26 N4 O5)

Compound Name

N-cyclopropyl-5-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-nitroaniline

IUPAC name

N-cyclopropyl-5-[4-(34-dimethoxybenzoyl)piperazin-1-yl]-2-nitroaniline

SMILES

COc(ccc(C(N(CC1)CCN1c(cc1)cc(NC2CC2)c1[N+]([O-])=O)=O)c1)c1OC

InChI

InChI=1S/C22H26N4O5/c1-30-20-8-3-15(13-21(20)31-2)22(27)25-11-9-24(10-12-25)17-6-7-19(26(28)29)18(14-17)23-16-4-5-16/h3,6-8,13-14,16,23H,4-5,9-12H2,1-2H3

InChI Key

NGCZEBPTSKBTCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02629896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.580

Distribution Coefficient, logD

2.580

Water Solubility, LogSw

-3.12

Polar Surface Area

78.082

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with 4299-1921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4299-1921?
Check Price and Availability of 4299-1921, 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 4299-1921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4299-1921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4299-1921
  • 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 4299-1921 available by request