5750-2463 Screening compound: 1-(2-methoxy-4-nitrophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrrolidine-2,5-dione

5750-2463 Screening compound: 1-(2-methoxy-4-nitrophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrrolidine-2,5-dione
5750-2463 Screening compound: 1-(2-methoxy-4-nitrophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5750-2463
1-(2-methoxy-4-nitrophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)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

5750-2463

Molecular Formula

C20H19N3O5 (C20 H19 N3 O5)

Compound Name

1-(2-methoxy-4-nitrophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrrolidine-2,5-dione

IUPAC name

1-(2-methoxy-4-nitrophenyl)-3-(1234-tetrahydroisoquinolin-2-yl)pyrrolidine-25-dione

SMILES

COc(cc(cc1)[N+]([O-])=O)c1N(C(CC1N(CC2)Cc3c2cccc3)=O)C1=O

InChI

InChI=1S/C20H19N3O5/c1-28-18-10-15(23(26)27)6-7-16(18)22-19(24)11-17(20(22)25)21-9-8-13-4-2-3-5-14(13)12-21/h2-7,10,17H,8-9,11-12H2,1H3/t17-/m1/s1

InChI Key

SIIISWHSSICDMD-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03147001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.319

Distribution Coefficient, logD

2.319

Water Solubility, LogSw

-2.84

Polar Surface Area

72.361

Acid Dissociation Constant (pKa)

15.30

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

5750-2463 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5750-2463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5750-2463?
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What is the minimum amount of 5750-2463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5750-2463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5750-2463
  • 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 5750-2463 available by request