0423-0846 Screening compound: N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-N~1~-(4-phenoxyphenyl)pentanamide

0423-0846 Screening compound: N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-N~1~-(4-phenoxyphenyl)pentanamide
0423-0846 Screening compound: N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-N~1~-(4-phenoxyphenyl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0423-0846
N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-N~1~-(4-phenoxyphenyl)pentanamide

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

0423-0846

Molecular Formula

C32H30N2O4 (C32 H30 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

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

InChI Key

NOKUVVUGFWCDGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00986277

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

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.931

Distribution Coefficient, logD

6.931

Water Solubility, LogSw

-6.46

Polar Surface Area

50.925

Acid Dissociation Constant (pKa)

22.59

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.90

References: we are preparing a list of scientific research reports with 0423-0846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0423-0846?
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What is the minimum amount of 0423-0846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0423-0846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0423-0846
  • 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 0423-0846 available by request