0548-0350 Screening compound: N~1~-{2-[6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl}-4-methyl-N~1~-(2-methylphenyl)benzamide

0548-0350 Screening compound: N~1~-{2-[6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl}-4-methyl-N~1~-(2-methylphenyl)benzamide
0548-0350 Screening compound: N~1~-{2-[6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl}-4-methyl-N~1~-(2-methylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0548-0350
N~1~-{2-[6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl}-4-methyl-N~1~-(2-methylphenyl)benzamide

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

0548-0350

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}-4-methyl-N~1~-(2-methylphenyl)benzamide

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)-4-methyl-N-(2-methylphenyl)benzamide

SMILES

Cc(cc1)ccc1C(N(CCN(C(c(cccc12)c1c1ccc2Br)=O)C1=O)c1c(C)cccc1)=O

InChI

InChI=1S/C29H23BrN2O3/c1-18-10-12-20(13-11-18)27(33)31(25-9-4-3-6-19(25)2)16-17-32-28(34)22-8-5-7-21-24(30)15-14-23(26(21)22)29(32)35/h3-15H,16-17H2,1-2H3

InChI Key

JTIPQSKHUJBUAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00988857

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

6.548

Distribution Coefficient, logD

6.548

Water Solubility, LogSw

-6.11

Polar Surface Area

44.132

Acid Dissociation Constant (pKa)

26.90

Base Dissociation Constant (pKb)

-5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

References: we are preparing a list of scientific research reports with 0548-0350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0548-0350?
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What is the minimum amount of 0548-0350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0548-0350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0548-0350
  • 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 0548-0350 available by request