0423-0637 Screening compound: N~1~-(2,4-dimethylphenyl)-N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-2,2-dimethylpropanamide

0423-0637 Screening compound: N~1~-(2,4-dimethylphenyl)-N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-2,2-dimethylpropanamide
0423-0637 Screening compound: N~1~-(2,4-dimethylphenyl)-N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-2,2-dimethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0423-0637
N~1~-(2,4-dimethylphenyl)-N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-2,2-dimethylpropanamide

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

0423-0637

Molecular Formula

C28H30N2O3 (C28 H30 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)C(N(CCCN(C(c1c2c3cccc2ccc1)=O)C3=O)c1c(C)cc(C)cc1)=O

InChI

InChI=1S/C28H30N2O3/c1-18-13-14-23(19(2)17-18)29(27(33)28(3,4)5)15-8-16-30-25(31)21-11-6-9-20-10-7-12-22(24(20)21)26(30)32/h6-7,9-14,17H,8,15-16H2,1-5H3

InChI Key

DHFYEJKVBXORPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.134

Distribution Coefficient, logD

6.134

Water Solubility, LogSw

-6.31

Polar Surface Area

44.404

Acid Dissociation Constant (pKa)

27.09

Base Dissociation Constant (pKb)

0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

0423-0637 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0423-0637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0423-0637?
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What is the minimum amount of 0423-0637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0423-0637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0423-0637
  • 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 0423-0637 available by request