3983-0146 Screening compound: 2-[(6-methyl-1,2,3,4-tetrahydroquinolin-1-yl)methyl]-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione

3983-0146 Screening compound: 2-[(6-methyl-1,2,3,4-tetrahydroquinolin-1-yl)methyl]-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione
3983-0146 Screening compound: 2-[(6-methyl-1,2,3,4-tetrahydroquinolin-1-yl)methyl]-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3983-0146
2-[(6-methyl-1,2,3,4-tetrahydroquinolin-1-yl)methyl]-4-nitro-2,3-dihydro-1H-isoindole-1,3-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

3983-0146

Molecular Formula

C19H17N3O4 (C19 H17 N3 O4)

Compound Name

2-[(6-methyl-1,2,3,4-tetrahydroquinolin-1-yl)methyl]-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-[(6-methyl-1234-tetrahydroquinolin-1-yl)methyl]-4-nitro-23-dihydro-1H-isoindole-13-dione

SMILES

Cc(cc1)cc2c1N(CN(C(c1cccc([N+]([O-])=O)c11)=O)C1=O)CCC2

InChI

InChI=1S/C19H17N3O4/c1-12-7-8-15-13(10-12)4-3-9-20(15)11-21-18(23)14-5-2-6-16(22(25)26)17(14)19(21)24/h2,5-8,10H,3-4,9,11H2,1H3

InChI Key

RLSUPCOCBRGASP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01115798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.659

Distribution Coefficient, logD

2.659

Water Solubility, LogSw

-3.25

Polar Surface Area

66.828

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

3983-0146 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3983-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3983-0146?
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What is the minimum amount of 3983-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3983-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3983-0146
  • 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 3983-0146 available by request