Y020-6621 Screening compound: (2E)-N-[1-(4-methoxybenzoyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(4-nitrophenyl)-N-phenylprop-2-enamide

Y020-6621 Screening compound: (2E)-N-[1-(4-methoxybenzoyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(4-nitrophenyl)-N-phenylprop-2-enamide
Y020-6621 Screening compound: (2E)-N-[1-(4-methoxybenzoyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(4-nitrophenyl)-N-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-6621
(2E)-N-[1-(4-methoxybenzoyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(4-nitrophenyl)-N-phenylprop-2-enamide

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

Y020-6621

Molecular Formula

C33H29N3O5 (C33 H29 N3 O5)

Compound Name

(2E)-N-[1-(4-methoxybenzoyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(4-nitrophenyl)-N-phenylprop-2-enamide

IUPAC name

(2E)-N-[1-(4-methoxybenzoyl)-2-methyl-1234-tetrahydroquinolin-4-yl]-3-(4-nitrophenyl)-N-phenylprop-2-enamide

SMILES

CC(CC1N(C(/C=C/c(cc2)ccc2[N+]([O-])=O)=O)c2ccccc2)N(C(c(cc2)ccc2OC)=O)c2c1cccc2

InChI

InChI=1S/C33H29N3O5/c1-23-22-31(29-10-6-7-11-30(29)34(23)33(38)25-15-19-28(41-2)20-16-25)35(26-8-4-3-5-9-26)32(37)21-14-24-12-17-27(18-13-24)36(39)40/h3-21,23,31H,22H2,1-2H3

InChI Key

UKNXJQNIZVYFFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01171498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.055

Distribution Coefficient, logD

6.055

Water Solubility, LogSw

-5.60

Polar Surface Area

68.865

Acid Dissociation Constant (pKa)

23.11

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

15.20

Y020-6621 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with Y020-6621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-6621?
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What is the minimum amount of Y020-6621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-6621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-6621
  • 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 Y020-6621 available by request