Y020-0378 Screening compound: N-{4-[2,5-dioxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrrolidin-1-yl]phenyl}acetamide

Y020-0378 Screening compound: N-{4-[2,5-dioxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrrolidin-1-yl]phenyl}acetamide
Y020-0378 Screening compound: N-{4-[2,5-dioxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrrolidin-1-yl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-0378
N-{4-[2,5-dioxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrrolidin-1-yl]phenyl}acetamide

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

Y020-0378

Molecular Formula

C21H21N3O3 (C21 H21 N3 O3)

Compound Name

N-{4-[2,5-dioxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrrolidin-1-yl]phenyl}acetamide

IUPAC name

N-{4-[25-dioxo-3-(1234-tetrahydroisoquinolin-2-yl)pyrrolidin-1-yl]phenyl}acetamide

SMILES

CC(Nc(cc1)ccc1N(C(CC1N(CC2)Cc3c2cccc3)=O)C1=O)=O

InChI

InChI=1S/C21H21N3O3/c1-14(25)22-17-6-8-18(9-7-17)24-20(26)12-19(21(24)27)23-11-10-15-4-2-3-5-16(15)13-23/h2-9,19H,10-13H2,1H3,(H,22,25)/t19-/m0/s1

InChI Key

VZZFWABQPUJRGX-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02319656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.373

Distribution Coefficient, logD

1.373

Water Solubility, LogSw

-2.16

Polar Surface Area

54.912

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

2.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

Y020-0378 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with Y020-0378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-0378?
Check Price and Availability of Y020-0378, 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 Y020-0378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-0378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-0378
  • 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 Y020-0378 available by request