0548-0319 Screening compound: N~1~-{2-[6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl}-3,5-dimethyl-N~1~-phenylbenzamide

0548-0319 Screening compound: N~1~-{2-[6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl}-3,5-dimethyl-N~1~-phenylbenzamide
0548-0319 Screening compound: N~1~-{2-[6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl}-3,5-dimethyl-N~1~-phenylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0548-0319
N~1~-{2-[6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl}-3,5-dimethyl-N~1~-phenylbenzamide

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

0548-0319

Molecular Formula

C29H23BrN2O3 (C29 H23 BrN2 O3)

Compound Name

N~1~-{2-[6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl}-3,5-dimethyl-N~1~-phenylbenzamide

IUPAC name

N-(2-{8-bromo-24-dioxo-3-azatricyclo[7.3.1.0^{513}]trideca-1(12)579(13)10-pentaen-3-yl}ethyl)-35-dimethyl-N-phenylbenzamide

SMILES

Cc1cc(C(N(CCN(C(c(cccc23)c2c2ccc3Br)=O)C2=O)c2ccccc2)=O)cc(C)c1

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.324

Distribution Coefficient, logD

6.324

Water Solubility, LogSw

-6.05

Polar Surface Area

44.433

Acid Dissociation Constant (pKa)

26.90

Base Dissociation Constant (pKb)

-3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.79

0548-0319 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 0548-0319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0548-0319?
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What is the minimum amount of 0548-0319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0548-0319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0548-0319
  • 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 0548-0319 available by request