2332-1780 Screening compound: N~1~-{2-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl}-3,4,5-trimethoxy-N~1~-(2-methoxyphenyl)benzamide

2332-1780 Screening compound: N~1~-{2-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl}-3,4,5-trimethoxy-N~1~-(2-methoxyphenyl)benzamide
2332-1780 Screening compound: N~1~-{2-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl}-3,4,5-trimethoxy-N~1~-(2-methoxyphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2332-1780
N~1~-{2-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl}-3,4,5-trimethoxy-N~1~-(2-methoxyphenyl)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

2332-1780

Molecular Formula

C31H28N2O7 (C31 H28 N2 O7)

Compound Name

N~1~-{2-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl}-3,4,5-trimethoxy-N~1~-(2-methoxyphenyl)benzamide

IUPAC name

N-(2-{24-dioxo-3-azatricyclo[7.3.1.0^{513}]trideca-1(13)57911-pentaen-3-yl}ethyl)-345-trimethoxy-N-(2-methoxyphenyl)benzamide

SMILES

COc(cccc1)c1N(CCN(C(c1c2c3cccc2ccc1)=O)C3=O)C(c(cc1OC)cc(OC)c1OC)=O

InChI

InChI=1S/C31H28N2O7/c1-37-24-14-6-5-13-23(24)32(29(34)20-17-25(38-2)28(40-4)26(18-20)39-3)15-16-33-30(35)21-11-7-9-19-10-8-12-22(27(19)21)31(33)36/h5-14,17-18H,15-16H2,1-4H3

InChI Key

RGWDOPSWOCUQLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00986801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.508

Distribution Coefficient, logD

4.508

Water Solubility, LogSw

-4.80

Polar Surface Area

74.741

Acid Dissociation Constant (pKa)

26.90

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.40

References: we are preparing a list of scientific research reports with 2332-1780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2332-1780?
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What is the minimum amount of 2332-1780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2332-1780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2332-1780
  • 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 2332-1780 available by request