4244-1525 Screening compound: 5-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline

4244-1525 Screening compound: 5-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline
4244-1525 Screening compound: 5-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4244-1525
5-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-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

4244-1525

Molecular Formula

C27H29ClN4O5 (C27 H29 ClN4 O5)

Compound Name

5-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline

IUPAC name

5-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-[2-(34-dimethoxyphenyl)ethyl]-2-nitroaniline

SMILES

COc(ccc(CCNc(cc(cc1)N(CC2)CCN2C(c(cccc2)c2Cl)=O)c1[N+]([O-])=O)c1)c1OC

InChI

InChI=1S/C27H29ClN4O5/c1-36-25-10-7-19(17-26(25)37-2)11-12-29-23-18-20(8-9-24(23)32(34)35)30-13-15-31(16-14-30)27(33)21-5-3-4-6-22(21)28/h3-10,17-18,29H,11-16H2,1-2H3

InChI Key

KFXZEZGLNFQLPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02227872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.030

Distribution Coefficient, logD

4.030

Water Solubility, LogSw

-4.33

Polar Surface Area

77.867

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

4244-1525 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4244-1525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4244-1525?
Check Price and Availability of 4244-1525, 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 4244-1525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4244-1525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4244-1525
  • 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 4244-1525 available by request