1695-0100 Screening compound: 2-amino-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

1695-0100 Screening compound: 2-amino-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
1695-0100 Screening compound: 2-amino-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1695-0100
2-amino-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-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

1695-0100

Molecular Formula

C12H7N3O4 (C12 H7 N3 O4)

Compound Name

2-amino-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

IUPAC name

3-amino-8-nitro-3-azatricyclo[7.3.1.0^{513}]trideca-1(12)579(13)10-pentaene-24-dione

SMILES

NN(C(c(cccc12)c1c1ccc2[N+]([O-])=O)=O)C1=O

InChI

InChI=1S/C12H7N3O4/c13-14-11(16)7-3-1-2-6-9(15(18)19)5-4-8(10(6)7)12(14)17/h1-5H,13H2

InChI Key

KCHRHUZMJQITPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00227031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.21

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.310

Distribution Coefficient, logD

1.310

Water Solubility, LogSw

-2.49

Polar Surface Area

78.711

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1695-0100 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Frequent Hitters Library (7624 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1695-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1695-0100?
Check Price and Availability of 1695-0100, 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 1695-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1695-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1695-0100
  • 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 1695-0100 available by request