Y020-6545 Screening compound: N-(2-methyl-1-propanoyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenyl-2-(4-phenylpiperazin-1-yl)acetamide

Y020-6545 Screening compound: N-(2-methyl-1-propanoyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenyl-2-(4-phenylpiperazin-1-yl)acetamide
Y020-6545 Screening compound: N-(2-methyl-1-propanoyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenyl-2-(4-phenylpiperazin-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-6545
N-(2-methyl-1-propanoyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenyl-2-(4-phenylpiperazin-1-yl)acetamide

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

Y020-6545

Molecular Formula

C31H36N4O2 (C31 H36 N4 O2)

Compound Name

N-(2-methyl-1-propanoyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenyl-2-(4-phenylpiperazin-1-yl)acetamide

IUPAC name

N-(2-methyl-1-propanoyl-1234-tetrahydroquinolin-4-yl)-N-phenyl-2-(4-phenylpiperazin-1-yl)acetamide

SMILES

CCC(N(C(C)CC1N(C(CN(CC2)CCN2c2ccccc2)=O)c2ccccc2)c2c1cccc2)=O

InChI

InChI=1S/C31H36N4O2/c1-3-30(36)34-24(2)22-29(27-16-10-11-17-28(27)34)35(26-14-8-5-9-15-26)31(37)23-32-18-20-33(21-19-32)25-12-6-4-7-13-25/h4-17,24,29H,3,18-23H2,1-2H3

InChI Key

NTOKLNOFSANHCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08592529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.342

Distribution Coefficient, logD

4.341

Water Solubility, LogSw

-4.09

Polar Surface Area

34.948

Acid Dissociation Constant (pKa)

23.10

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.50

Y020-6545 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with Y020-6545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-6545?
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What is the minimum amount of Y020-6545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-6545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-6545
  • 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 Y020-6545 available by request