8003-5598 Screening compound: N-{4-[(1,3-dioxo-1,3-dihydro-5-isobenzofuranyl)carbonyl]phenyl}-1,3-dioxo-2-phenyl-5-isoindolinecarboxamide

8003-5598 Screening compound: N-{4-[(1,3-dioxo-1,3-dihydro-5-isobenzofuranyl)carbonyl]phenyl}-1,3-dioxo-2-phenyl-5-isoindolinecarboxamide
8003-5598 Screening compound: N-{4-[(1,3-dioxo-1,3-dihydro-5-isobenzofuranyl)carbonyl]phenyl}-1,3-dioxo-2-phenyl-5-isoindolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-5598
N-{4-[(1,3-dioxo-1,3-dihydro-5-isobenzofuranyl)carbonyl]phenyl}-1,3-dioxo-2-phenyl-5-isoindolinecarboxamide

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

8003-5598

Molecular Formula

C30H16N2O7 (C30 H16 N2 O7)

Compound Name

N-{4-[(1,3-dioxo-1,3-dihydro-5-isobenzofuranyl)carbonyl]phenyl}-1,3-dioxo-2-phenyl-5-isoindolinecarboxamide

IUPAC name

N-[4-(13-dioxo-13-dihydro-2-benzofuran-5-carbonyl)phenyl]-13-dioxo-2-phenyl-23-dihydro-1H-isoindole-5-carboxamide

SMILES

O=C(c(cc1)ccc1NC(c(cc1)cc(C(N2c3ccccc3)=O)c1C2=O)=O)c(cc1)cc(C(O2)=O)c1C2=O

InChI

InChI=1S/C30H16N2O7/c33-25(17-8-13-22-24(14-17)30(38)39-29(22)37)16-6-10-19(11-7-16)31-26(34)18-9-12-21-23(15-18)28(36)32(27(21)35)20-4-2-1-3-5-20/h1-15H,(H,31,34)

InChI Key

FPZKOCPCCJVBHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00634725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.47

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.149

Distribution Coefficient, logD

4.091

Water Solubility, LogSw

-4.47

Polar Surface Area

100.562

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

-5.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8003-5598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-5598?
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What is the minimum amount of 8003-5598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-5598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-5598
  • 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 8003-5598 available by request