3647-1409 Screening compound: 4,5-dimethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-isoindole-1,3-dione

3647-1409 Screening compound: 4,5-dimethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-isoindole-1,3-dione
3647-1409 Screening compound: 4,5-dimethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3647-1409
4,5-dimethoxy-2-(3-nitrophenyl)-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

3647-1409

Molecular Formula

C16H12N2O6 (C16 H12 N2 O6)

Compound Name

4,5-dimethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

45-dimethoxy-2-(3-nitrophenyl)-23-dihydro-1H-isoindole-13-dione

SMILES

COc(ccc(C(N1c2cccc([N+]([O-])=O)c2)=O)c2C1=O)c2OC

InChI

InChI=1S/C16H12N2O6/c1-23-12-7-6-11-13(14(12)24-2)16(20)17(15(11)19)9-4-3-5-10(8-9)18(21)22/h3-8H,1-2H3

InChI Key

JGJHDVXBDVWCGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02041935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.28

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

1.670

Distribution Coefficient, logD

1.670

Water Solubility, LogSw

-2.49

Polar Surface Area

77.609

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-7.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 3647-1409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3647-1409?
Check Price and Availability of 3647-1409, 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 3647-1409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3647-1409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3647-1409
  • 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 3647-1409 available by request