2922-3918 Screening compound: 2-[3-(tert-butylcarbamoyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

2922-3918 Screening compound: 2-[3-(tert-butylcarbamoyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
2922-3918 Screening compound: 2-[3-(tert-butylcarbamoyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2922-3918
2-[3-(tert-butylcarbamoyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

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

2922-3918

Molecular Formula

C20H18N2O5 (C20 H18 N2 O5)

Compound Name

2-[3-(tert-butylcarbamoyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

IUPAC name

2-[3-(tert-butylcarbamoyl)phenyl]-13-dioxo-23-dihydro-1H-isoindole-5-carboxylic acid

SMILES

CC(C)(C)NC(c1cccc(N(C(c(cc2)c3cc2C(O)=O)=O)C3=O)c1)=O

InChI

InChI=1S/C20H18N2O5/c1-20(2,3)21-16(23)11-5-4-6-13(9-11)22-17(24)14-8-7-12(19(26)27)10-15(14)18(22)25/h4-10H,1-3H3,(H,21,23)(H,26,27)

InChI Key

NXMMGKCWIKUXOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01186275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.193

Distribution Coefficient, logD

-0.785

Water Solubility, LogSw

-3.44

Polar Surface Area

80.797

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

2922-3918 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CORONAVIRUS Library (20774 compounds)

Cardiovascular Library (22201 compounds)

PLpro Library (6343 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 2922-3918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2922-3918?
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What is the minimum amount of 2922-3918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2922-3918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2922-3918
  • 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 2922-3918 available by request