0423-0420 Screening compound: N~2~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-N~2~-(2-methoxyphenyl)-2-thiophenecarboxamide

0423-0420 Screening compound: N~2~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-N~2~-(2-methoxyphenyl)-2-thiophenecarboxamide
0423-0420 Screening compound: N~2~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-N~2~-(2-methoxyphenyl)-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0423-0420
N~2~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-N~2~-(2-methoxyphenyl)-2-thiophenecarboxamide

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

0423-0420

Molecular Formula

C27H22N2O4S (C27 H22 N2 O4 S)

Compound Name

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

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)thiophene-2-carboxamide

SMILES

COc(cccc1)c1N(CCCN(C(c1c2c3cccc2ccc1)=O)C3=O)C(c1cccs1)=O

InChI

InChI=1S/C27H22N2O4S/c1-33-22-13-3-2-12-21(22)28(27(32)23-14-6-17-34-23)15-7-16-29-25(30)19-10-4-8-18-9-5-11-20(24(18)19)26(29)31/h2-6,8-14,17H,7,15-16H2,1H3

InChI Key

QFNJQFRONNMRBZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.924

Distribution Coefficient, logD

4.924

Water Solubility, LogSw

-5.29

Polar Surface Area

52.781

Acid Dissociation Constant (pKa)

27.09

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with 0423-0420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0423-0420?
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What is the minimum amount of 0423-0420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0423-0420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0423-0420
  • 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 0423-0420 available by request