4061-0047 Screening compound: 4-[3,4-dihydro-2(1H)-isoquinolinyl]-7-nitro-2,1,3-benzoxadiazole

4061-0047 Screening compound: 4-[3,4-dihydro-2(1H)-isoquinolinyl]-7-nitro-2,1,3-benzoxadiazole
4061-0047 Screening compound: 4-[3,4-dihydro-2(1H)-isoquinolinyl]-7-nitro-2,1,3-benzoxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4061-0047
4-[3,4-dihydro-2(1H)-isoquinolinyl]-7-nitro-2,1,3-benzoxadiazole

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

4061-0047

Molecular Formula

C15H12N4O3 (C15 H12 N4 O3)

Compound Name

4-[3,4-dihydro-2(1H)-isoquinolinyl]-7-nitro-2,1,3-benzoxadiazole

IUPAC name

n/a

SMILES

[O-][N+](c(c1nonc11)ccc1N(CC1)Cc2c1cccc2)=O

InChI

InChI=1S/C15H12N4O3/c20-19(21)13-6-5-12(14-15(13)17-22-16-14)18-8-7-10-3-1-2-4-11(10)9-18/h1-6H,7-9H2

InChI Key

YJMKHHASBLNKMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01858742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.560

Distribution Coefficient, logD

3.560

Water Solubility, LogSw

-3.55

Polar Surface Area

72.993

Acid Dissociation Constant (pKa)

22.97

Base Dissociation Constant (pKb)

-5.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 4061-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4061-0047?
Check Price and Availability of 4061-0047, 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 4061-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4061-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4061-0047
  • 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 4061-0047 available by request