3371-1071 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-nitroaniline

3371-1071 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-nitroaniline
3371-1071 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3371-1071
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(2-fluorobenzoyl)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

3371-1071

Molecular Formula

C27H29FN4O5 (C27 H29 FN4 O5)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(CCNc(cc(cc1)N(CC2)CCN2C(c(cccc2)c2F)=O)c1[N+]([O-])=O)c1)c1OC

InChI

InChI=1S/C27H29FN4O5/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

FXPLKDJYULQDEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02109732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.55

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

3.752

Distribution Coefficient, logD

3.752

Water Solubility, LogSw

-4.06

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

3371-1071 in Drug Discovery

Included in Screening Libraries

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 3371-1071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3371-1071?
Check Price and Availability of 3371-1071, 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 3371-1071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3371-1071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3371-1071
  • 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 3371-1071 available by request