Y020-1895 Screening compound: 1-(2,5-dimethylphenyl)-3-{[2-(1H-indol-3-yl)ethyl]amino}pyrrolidine-2,5-dione

Y020-1895 Screening compound: 1-(2,5-dimethylphenyl)-3-{[2-(1H-indol-3-yl)ethyl]amino}pyrrolidine-2,5-dione
Y020-1895 Screening compound: 1-(2,5-dimethylphenyl)-3-{[2-(1H-indol-3-yl)ethyl]amino}pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-1895
1-(2,5-dimethylphenyl)-3-{[2-(1H-indol-3-yl)ethyl]amino}pyrrolidine-2,5-dione

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

Y020-1895

Molecular Formula

C22H23N3O2 (C22 H23 N3 O2)

Compound Name

1-(2,5-dimethylphenyl)-3-{[2-(1H-indol-3-yl)ethyl]amino}pyrrolidine-2,5-dione

IUPAC name

1-(25-dimethylphenyl)-3-{[2-(1H-indol-3-yl)ethyl]amino}pyrrolidine-25-dione

SMILES

Cc1cc(N(C(CC2NCCc3c[nH]c4c3cccc4)=O)C2=O)c(C)cc1

InChI

InChI=1S/C22H23N3O2/c1-14-7-8-15(2)20(11-14)25-21(26)12-19(22(25)27)23-10-9-16-13-24-18-6-4-3-5-17(16)18/h3-8,11,13,19,23-24H,9-10,12H2,1-2H3/t19-/m0/s1

InChI Key

WKCRJEVLTKCATR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD07185990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.586

Distribution Coefficient, logD

2.584

Water Solubility, LogSw

-2.96

Polar Surface Area

50.320

Acid Dissociation Constant (pKa)

16.92

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

Y020-1895 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with Y020-1895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-1895?
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What is the minimum amount of Y020-1895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-1895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-1895
  • 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 Y020-1895 available by request