Y020-7445 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]prop-2-enamide

Y020-7445 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]prop-2-enamide
Y020-7445 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-7445
(2E)-3-(2H-1,3-benzodioxol-5-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]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

Y020-7445

Molecular Formula

C21H20N2O4 (C21 H20 N2 O4)

Compound Name

(2E)-3-(2H-1,3-benzodioxol-5-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]prop-2-enamide

IUPAC name

(2E)-3-(2H-13-benzodioxol-5-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]prop-2-enamide

SMILES

COc(cc1)cc2c1c(CCNC(/C=C/c(cc1)cc3c1OCO3)=O)c[nH]2

InChI

InChI=1S/C21H20N2O4/c1-25-16-4-5-17-15(12-23-18(17)11-16)8-9-22-21(24)7-3-14-2-6-19-20(10-14)27-13-26-19/h2-7,10-12,23H,8-9,13H2,1H3,(H,22,24)

InChI Key

IJXLHSKRFRQFFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06493449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.132

Distribution Coefficient, logD

4.132

Water Solubility, LogSw

-4.49

Polar Surface Area

58.810

Acid Dissociation Constant (pKa)

14.47

Base Dissociation Constant (pKb)

2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

Y020-7445 in Drug Discovery

Included in Screening Libraries

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

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with Y020-7445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-7445?
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What is the minimum amount of Y020-7445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-7445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-7445
  • 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 Y020-7445 available by request