C345-0243 Screening compound: 2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-N-(2,3-dimethylphenyl)acetamide

C345-0243 Screening compound: 2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-N-(2,3-dimethylphenyl)acetamide
C345-0243 Screening compound: 2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-N-(2,3-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C345-0243
2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-N-(2,3-dimethylphenyl)acetamide

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

C345-0243

Molecular Formula

C28H27N3O6 (C28 H27 N3 O6)

Compound Name

2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-N-(2,3-dimethylphenyl)acetamide

IUPAC name

2-[5-(2H-13-benzodioxol-5-yl)-3-(24-dimethoxyphenyl)-2-oxo-23-dihydro-1H-imidazol-1-yl]-N-(23-dimethylphenyl)acetamide

SMILES

Cc1cccc(NC(CN(C(c(cc2)cc3c2OCO3)=CN2c(ccc(OC)c3)c3OC)C2=O)=O)c1C

InChI

InChI=1S/C28H27N3O6/c1-17-6-5-7-21(18(17)2)29-27(32)15-31-23(19-8-11-24-26(12-19)37-16-36-24)14-30(28(31)33)22-10-9-20(34-3)13-25(22)35-4/h5-14H,15-16H2,1-4H3,(H,29,32)

InChI Key

DXKYMUBHAFERAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.005

Distribution Coefficient, logD

5.003

Water Solubility, LogSw

-4.65

Polar Surface Area

72.925

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C345-0243 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C345-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C345-0243?
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What is the minimum amount of C345-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C345-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C345-0243
  • 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 C345-0243 available by request