2054-0299 Screening compound: N-[1,3-dioxo-2-(4-phenoxyphenyl)-2,3-dihydro-1H-isoindol-5-yl]benzamide

2054-0299 Screening compound: N-[1,3-dioxo-2-(4-phenoxyphenyl)-2,3-dihydro-1H-isoindol-5-yl]benzamide
2054-0299 Screening compound: N-[1,3-dioxo-2-(4-phenoxyphenyl)-2,3-dihydro-1H-isoindol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2054-0299
N-[1,3-dioxo-2-(4-phenoxyphenyl)-2,3-dihydro-1H-isoindol-5-yl]benzamide

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

2054-0299

Molecular Formula

C27H18N2O4 (C27 H18 N2 O4)

Compound Name

N-[1,3-dioxo-2-(4-phenoxyphenyl)-2,3-dihydro-1H-isoindol-5-yl]benzamide

IUPAC name

N-[13-dioxo-2-(4-phenoxyphenyl)-23-dihydro-1H-isoindol-5-yl]benzamide

SMILES

O=C(c1ccccc1)Nc(cc1)cc(C(N2c(cc3)ccc3Oc3ccccc3)=O)c1C2=O

InChI

InChI=1S/C27H18N2O4/c30-25(18-7-3-1-4-8-18)28-19-11-16-23-24(17-19)27(32)29(26(23)31)20-12-14-22(15-13-20)33-21-9-5-2-6-10-21/h1-17H,(H,28,30)

InChI Key

BKGMULWMIBQTNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01138256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.438

Distribution Coefficient, logD

5.311

Water Solubility, LogSw

-5.78

Polar Surface Area

58.719

Acid Dissociation Constant (pKa)

7.87

Base Dissociation Constant (pKb)

-4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2054-0299 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2054-0299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2054-0299?
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What is the minimum amount of 2054-0299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2054-0299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2054-0299
  • 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 2054-0299 available by request