Y020-6596 Screening compound: 3,4-dichloro-N-[2-methyl-1-(2-oxo-2-phenylethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbenzamide

Y020-6596 Screening compound: 3,4-dichloro-N-[2-methyl-1-(2-oxo-2-phenylethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbenzamide
Y020-6596 Screening compound: 3,4-dichloro-N-[2-methyl-1-(2-oxo-2-phenylethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-6596
3,4-dichloro-N-[2-methyl-1-(2-oxo-2-phenylethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-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

Y020-6596

Molecular Formula

C31H26Cl2N2O2 (C31 H26 Cl2 N2 O2)

Compound Name

3,4-dichloro-N-[2-methyl-1-(2-oxo-2-phenylethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbenzamide

IUPAC name

34-dichloro-N-[2-methyl-1-(2-oxo-2-phenylethyl)-1234-tetrahydroquinolin-4-yl]-N-phenylbenzamide

SMILES

CC(CC1N(C(c(cc2)cc(Cl)c2Cl)=O)c2ccccc2)N(CC(c2ccccc2)=O)c2c1cccc2

InChI

InChI=1S/C31H26Cl2N2O2/c1-21-18-29(25-14-8-9-15-28(25)34(21)20-30(36)22-10-4-2-5-11-22)35(24-12-6-3-7-13-24)31(37)23-16-17-26(32)27(33)19-23/h2-17,19,21,29H,18,20H2,1H3

InChI Key

DECGOJFRDVVLMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02127789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.950

Distribution Coefficient, logD

6.950

Water Solubility, LogSw

-6.39

Polar Surface Area

29.130

Acid Dissociation Constant (pKa)

19.56

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.10

Y020-6596 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 Y020-6596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-6596?
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What is the minimum amount of Y020-6596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-6596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-6596
  • 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 Y020-6596 available by request