Y020-7452 Screening compound: (2E)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-(4-nitrophenyl)prop-2-enamide

Y020-7452 Screening compound: (2E)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-(4-nitrophenyl)prop-2-enamide
Y020-7452 Screening compound: (2E)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-(4-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-7452
(2E)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-(4-nitrophenyl)prop-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

Y020-7452

Molecular Formula

C20H19N3O4 (C20 H19 N3 O4)

Compound Name

(2E)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-(4-nitrophenyl)prop-2-enamide

IUPAC name

(2E)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-(4-nitrophenyl)prop-2-enamide

SMILES

COc(cc1)cc2c1c(CCNC(/C=C/c(cc1)ccc1[N+]([O-])=O)=O)c[nH]2

InChI

InChI=1S/C20H19N3O4/c1-27-17-7-8-18-15(13-22-19(18)12-17)10-11-21-20(24)9-4-14-2-5-16(6-3-14)23(25)26/h2-9,12-13,22H,10-11H2,1H3,(H,21,24)

InChI Key

HFUIUDMMKWNTPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06609636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.054

Distribution Coefficient, logD

4.054

Water Solubility, LogSw

-4.46

Polar Surface Area

75.076

Acid Dissociation Constant (pKa)

14.47

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

Y020-7452 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 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
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with Y020-7452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-7452?
Check Price and Availability of Y020-7452, 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 Y020-7452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-7452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-7452
  • 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 Y020-7452 available by request