2332-0049 Screening compound: N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-N~1~-(2-methoxyphenyl)-3-nitrobenzamide

2332-0049 Screening compound: N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-N~1~-(2-methoxyphenyl)-3-nitrobenzamide
2332-0049 Screening compound: N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-N~1~-(2-methoxyphenyl)-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2332-0049
N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-N~1~-(2-methoxyphenyl)-3-nitrobenzamide

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

2332-0049

Molecular Formula

C29H23N3O6 (C29 H23 N3 O6)

Compound Name

N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-N~1~-(2-methoxyphenyl)-3-nitrobenzamide

IUPAC name

N-(3-{24-dioxo-3-azatricyclo[7.3.1.0^{513}]trideca-1(12)579(13)10-pentaen-3-yl}propyl)-N-(2-methoxyphenyl)-3-nitrobenzamide

SMILES

COc(cccc1)c1N(CCCN(C(c1c2c3cccc2ccc1)=O)C3=O)C(c1cccc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C29H23N3O6/c1-38-25-15-3-2-14-24(25)30(27(33)20-10-4-11-21(18-20)32(36)37)16-7-17-31-28(34)22-12-5-8-19-9-6-13-23(26(19)22)29(31)35/h2-6,8-15,18H,7,16-17H2,1H3

InChI Key

LOZODZACIHDHER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00986181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.790

Distribution Coefficient, logD

4.790

Water Solubility, LogSw

-5.30

Polar Surface Area

85.144

Acid Dissociation Constant (pKa)

27.02

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

References: we are preparing a list of scientific research reports with 2332-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2332-0049?
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What is the minimum amount of 2332-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2332-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2332-0049
  • 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 2332-0049 available by request