3983-0175 Screening compound: 4-nitro-2-[(1,2,3,4-tetrahydroquinolin-1-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione

3983-0175 Screening compound: 4-nitro-2-[(1,2,3,4-tetrahydroquinolin-1-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione
3983-0175 Screening compound: 4-nitro-2-[(1,2,3,4-tetrahydroquinolin-1-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3983-0175
4-nitro-2-[(1,2,3,4-tetrahydroquinolin-1-yl)methyl]-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

3983-0175

Molecular Formula

C18H15N3O4 (C18 H15 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cccc1C(N2CN(CCC3)c4c3cccc4)=O)c1C2=O)=O

InChI

InChI=1S/C18H15N3O4/c22-17-13-7-3-9-15(21(24)25)16(13)18(23)20(17)11-19-10-4-6-12-5-1-2-8-14(12)19/h1-3,5,7-9H,4,6,10-11H2

InChI Key

ACQDKYBJKMCSCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01115821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.33

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

2.450

Distribution Coefficient, logD

2.450

Water Solubility, LogSw

-2.76

Polar Surface Area

66.828

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 3983-0175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3983-0175?
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What is the minimum amount of 3983-0175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3983-0175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3983-0175
  • 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 3983-0175 available by request