0423-0847 Screening compound: N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-2,2-dimethyl-N~1~-(4-phenoxyphenyl)propanamide

0423-0847 Screening compound: N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-2,2-dimethyl-N~1~-(4-phenoxyphenyl)propanamide
0423-0847 Screening compound: N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-2,2-dimethyl-N~1~-(4-phenoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0423-0847
N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-2,2-dimethyl-N~1~-(4-phenoxyphenyl)propanamide

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

0423-0847

Molecular Formula

C32H30N2O4 (C32 H30 N2 O4)

Compound Name

N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-2,2-dimethyl-N~1~-(4-phenoxyphenyl)propanamide

IUPAC name

N-(3-{24-dioxo-3-azatricyclo[7.3.1.0^{513}]trideca-1(12)579(13)10-pentaen-3-yl}propyl)-22-dimethyl-N-(4-phenoxyphenyl)propanamide

SMILES

CC(C)(C)C(N(CCCN(C(c1c2c3cccc2ccc1)=O)C3=O)c(cc1)ccc1Oc1ccccc1)=O

InChI

InChI=1S/C32H30N2O4/c1-32(2,3)31(37)33(23-16-18-25(19-17-23)38-24-12-5-4-6-13-24)20-9-21-34-29(35)26-14-7-10-22-11-8-15-27(28(22)26)30(34)36/h4-8,10-19H,9,20-21H2,1-3H3

InChI Key

HABONFSVYASMPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00986278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.645

Distribution Coefficient, logD

6.645

Water Solubility, LogSw

-6.49

Polar Surface Area

51.452

Acid Dissociation Constant (pKa)

27.09

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.90

0423-0847 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0423-0847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0423-0847?
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What is the minimum amount of 0423-0847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0423-0847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0423-0847
  • 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 0423-0847 available by request