1080-0708 Screening compound: 6-AMINO-2-(4-METHYLPHENYL)-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE

1080-0708 Screening compound: 6-AMINO-2-(4-METHYLPHENYL)-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE
1080-0708 Screening compound: 6-AMINO-2-(4-METHYLPHENYL)-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 1080-0708
6-AMINO-2-(4-METHYLPHENYL)-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

1080-0708

Molecular Formula

C19H14N2O2 (C19 H14 N2 O2)

Compound Name

6-AMINO-2-(4-METHYLPHENYL)-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE

IUPAC name

n/a

SMILES

Cc(cc1)ccc1N(C(c(cccc12)c1c1ccc2N)=O)C1=O

InChI

InChI=1S/C19H14N2O2/c1-11-5-7-12(8-6-11)21-18(22)14-4-2-3-13-16(20)10-9-15(17(13)14)19(21)23/h2-10H,20H2,1H3

InChI Key

DZIUYGNCIQHBLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00725051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.683

Distribution Coefficient, logD

2.683

Water Solubility, LogSw

-3.30

Polar Surface Area

48.338

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

1080-0708 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1080-0708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1080-0708?
Check Price and Availability of 1080-0708, 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 1080-0708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1080-0708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1080-0708
  • 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 1080-0708 available by request