3610-1205 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(4-methylbenzoyl)piperazin-1-yl]-2-nitroaniline

3610-1205 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(4-methylbenzoyl)piperazin-1-yl]-2-nitroaniline
3610-1205 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(4-methylbenzoyl)piperazin-1-yl]-2-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3610-1205
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(4-methylbenzoyl)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

3610-1205

Molecular Formula

C28H32N4O5 (C28 H32 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(N(CC1)CCN1c(cc1)cc(NCCc(cc2)cc(OC)c2OC)c1[N+]([O-])=O)=O

InChI

InChI=1S/C28H32N4O5/c1-20-4-7-22(8-5-20)28(33)31-16-14-30(15-17-31)23-9-10-25(32(34)35)24(19-23)29-13-12-21-6-11-26(36-2)27(18-21)37-3/h4-11,18-19,29H,12-17H2,1-3H3

InChI Key

NJVBNYKAAWIDBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02625908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.59

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

4.040

Distribution Coefficient, logD

4.040

Water Solubility, LogSw

-4.21

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

32.10

3610-1205 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 3610-1205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3610-1205?
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What is the minimum amount of 3610-1205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3610-1205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3610-1205
  • 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 3610-1205 available by request