4502-0329 Screening compound: 2-methyl-1,4-bis(3,4,5-trimethoxybenzoyl)piperazine

4502-0329 Screening compound: 2-methyl-1,4-bis(3,4,5-trimethoxybenzoyl)piperazine
4502-0329 Screening compound: 2-methyl-1,4-bis(3,4,5-trimethoxybenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4502-0329
2-methyl-1,4-bis(3,4,5-trimethoxybenzoyl)piperazine

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

4502-0329

Molecular Formula

C25H32N2O8 (C25 H32 N2 O8)

Compound Name

2-methyl-1,4-bis(3,4,5-trimethoxybenzoyl)piperazine

IUPAC name

2-methyl-14-bis(345-trimethoxybenzoyl)piperazine

SMILES

CC(CN(CC1)C(c(cc2OC)cc(OC)c2OC)=O)N1C(c(cc1OC)cc(OC)c1OC)=O

InChI

InChI=1S/C25H32N2O8/c1-15-14-26(24(28)16-10-18(30-2)22(34-6)19(11-16)31-3)8-9-27(15)25(29)17-12-20(32-4)23(35-7)21(13-17)33-5/h10-13,15H,8-9,14H2,1-7H3/t15-/m0/s1

InChI Key

JXSAGUFWXLQFKX-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD01938406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.966

Distribution Coefficient, logD

1.966

Water Solubility, LogSw

-2.25

Polar Surface Area

78.517

Acid Dissociation Constant (pKa)

26.59

Base Dissociation Constant (pKb)

-4.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

4502-0329 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 4502-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4502-0329?
Check Price and Availability of 4502-0329, 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 4502-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4502-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4502-0329
  • 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 4502-0329 available by request