3610-1263 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-nitroaniline

3610-1263 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-nitroaniline
3610-1263 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3610-1263
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(4-methoxybenzoyl)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

3610-1263

Molecular Formula

C28H32N4O6 (C28 H32 N4 O6)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C28H32N4O6/c1-36-23-8-5-21(6-9-23)28(33)31-16-14-30(15-17-31)22-7-10-25(32(34)35)24(19-22)29-13-12-20-4-11-26(37-2)27(18-20)38-3/h4-11,18-19,29H,12-17H2,1-3H3

InChI Key

WTDAXWUPWALGAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02625920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.599

Distribution Coefficient, logD

3.599

Water Solubility, LogSw

-3.97

Polar Surface Area

85.411

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

3610-1263 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

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 3610-1263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3610-1263?
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What is the minimum amount of 3610-1263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3610-1263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3610-1263
  • 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 3610-1263 available by request