3535-0011 Screening compound: 1-[4-(4-chlorophenyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-1-yl]-2-(4-methylpiperazin-1-yl)ethan-1-one

3535-0011 Screening compound: 1-[4-(4-chlorophenyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-1-yl]-2-(4-methylpiperazin-1-yl)ethan-1-one
3535-0011 Screening compound: 1-[4-(4-chlorophenyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-1-yl]-2-(4-methylpiperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3535-0011
1-[4-(4-chlorophenyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-1-yl]-2-(4-methylpiperazin-1-yl)ethan-1-one

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

3535-0011

Molecular Formula

C25H32ClN3O (C25 H32 ClN3 O)

Compound Name

1-[4-(4-chlorophenyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-1-yl]-2-(4-methylpiperazin-1-yl)ethan-1-one

IUPAC name

1-[4-(4-chlorophenyl)-224-trimethyl-1234-tetrahydroquinolin-1-yl]-2-(4-methylpiperazin-1-yl)ethan-1-one

SMILES

CC(C)(CC1(C)c(cc2)ccc2Cl)N(C(CN2CCN(C)CC2)=O)c2c1cccc2

InChI

InChI=1S/C25H32ClN3O/c1-24(2)18-25(3,19-9-11-20(26)12-10-19)21-7-5-6-8-22(21)29(24)23(30)17-28-15-13-27(4)14-16-28/h5-12H,13-18H2,1-4H3/t25-/m0/s1

InChI Key

YMDSAGGVFVRPDF-VWLOTQADSA-N

MDL Number (MFCD)

MFCD01959028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.968

Distribution Coefficient, logD

3.299

Water Solubility, LogSw

-4.49

Polar Surface Area

21.006

Acid Dissociation Constant (pKa)

24.35

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

3535-0011 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

Human Ion Channels Annotated Library (353 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3535-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3535-0011?
Check Price and Availability of 3535-0011, 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 3535-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3535-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3535-0011
  • 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 3535-0011 available by request