Y020-6618 Screening compound: N-[1-(4-methoxybenzoyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-4-pentyl-N-phenylbenzamide

Y020-6618 Screening compound: N-[1-(4-methoxybenzoyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-4-pentyl-N-phenylbenzamide
Y020-6618 Screening compound: N-[1-(4-methoxybenzoyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-4-pentyl-N-phenylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-6618
N-[1-(4-methoxybenzoyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-4-pentyl-N-phenylbenzamide

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

Y020-6618

Molecular Formula

C36H38N2O3 (C36 H38 N2 O3)

Compound Name

N-[1-(4-methoxybenzoyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-4-pentyl-N-phenylbenzamide

IUPAC name

N-[1-(4-methoxybenzoyl)-2-methyl-1234-tetrahydroquinolin-4-yl]-4-pentyl-N-phenylbenzamide

SMILES

CCCCCc(cc1)ccc1C(N(C(CC1C)c(cccc2)c2N1C(c(cc1)ccc1OC)=O)c1ccccc1)=O

InChI

InChI=1S/C36H38N2O3/c1-4-5-7-12-27-17-19-28(20-18-27)36(40)38(30-13-8-6-9-14-30)34-25-26(2)37(33-16-11-10-15-32(33)34)35(39)29-21-23-31(41-3)24-22-29/h6,8-11,13-24,26,34H,4-5,7,12,25H2,1-3H3

InChI Key

HVFXWEVMMPNFBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02817060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.71

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.104

Distribution Coefficient, logD

8.104

Water Solubility, LogSw

-5.78

Polar Surface Area

36.011

Acid Dissociation Constant (pKa)

23.11

Base Dissociation Constant (pKb)

-3.50

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.80

Y020-6618 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y020-6618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-6618?
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What is the minimum amount of Y020-6618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-6618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-6618
  • 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 Y020-6618 available by request