8020-0555 Screening compound: 3-[(4-ethylpiperazin-1-yl)methyl]-2,5-dimethylbenzaldehyde

8020-0555 Screening compound: 3-[(4-ethylpiperazin-1-yl)methyl]-2,5-dimethylbenzaldehyde
8020-0555 Screening compound: 3-[(4-ethylpiperazin-1-yl)methyl]-2,5-dimethylbenzaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0555
3-[(4-ethylpiperazin-1-yl)methyl]-2,5-dimethylbenzaldehyde

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

8020-0555

Molecular Formula

C16H24N2O (C16 H24 N2 O)

Compound Name

3-[(4-ethylpiperazin-1-yl)methyl]-2,5-dimethylbenzaldehyde

IUPAC name

3-[(4-ethylpiperazin-1-yl)methyl]-25-dimethylbenzaldehyde

SMILES

CCN1CCN(Cc2cc(C)cc(C=O)c2C)CC1

InChI

InChI=1S/C16H24N2O/c1-4-17-5-7-18(8-6-17)11-15-9-13(2)10-16(12-19)14(15)3/h9-10,12H,4-8,11H2,1-3H3

InChI Key

UBRQZGDMKHLFNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07161855

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

260.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.256

Distribution Coefficient, logD

1.324

Water Solubility, LogSw

-2.14

Polar Surface Area

21.667

Acid Dissociation Constant (pKa)

26.90

Base Dissociation Constant (pKb)

8.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

8020-0555 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8020-0555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0555?
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What is the minimum amount of 8020-0555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0555
  • 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 8020-0555 available by request