8010-2430 Screening compound: propyl 4-[5-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]benzoate

8010-2430 Screening compound: propyl 4-[5-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]benzoate
8010-2430 Screening compound: propyl 4-[5-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-2430
propyl 4-[5-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]benzoate

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

8010-2430

Molecular Formula

C22H16BrNO4 (C22 H16 BrNO4)

Compound Name

propyl 4-[5-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]benzoate

IUPAC name

propyl 4-{11-bromo-24-dioxo-3-azatricyclo[7.3.1.0^{513}]trideca-1(13)57911-pentaen-3-yl}benzoate

SMILES

CCCOC(c(cc1)ccc1N(C(c1c2c3cc(Br)cc2ccc1)=O)C3=O)=O

InChI

InChI=1S/C22H16BrNO4/c1-2-10-28-22(27)13-6-8-16(9-7-13)24-20(25)17-5-3-4-14-11-15(23)12-18(19(14)17)21(24)26/h3-9,11-12H,2,10H2,1H3

InChI Key

MGEHYEOHNXORDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01178771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.222

Distribution Coefficient, logD

5.222

Water Solubility, LogSw

-5.83

Polar Surface Area

49.290

Acid Dissociation Constant (pKa)

27.80

Base Dissociation Constant (pKb)

-7.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

8010-2430 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-2430 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-2430?
Check Price and Availability of 8010-2430, 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 8010-2430 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-2430
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-2430
  • 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 8010-2430 available by request