5218-1215 Screening compound: 3-[2-(4-hydroxy-3,5-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]-5H-5lambda~6~-dibenzo[b,d]thiophene-5,5-dione

5218-1215 Screening compound: 3-[2-(4-hydroxy-3,5-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]-5H-5lambda~6~-dibenzo[b,d]thiophene-5,5-dione
5218-1215 Screening compound: 3-[2-(4-hydroxy-3,5-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]-5H-5lambda~6~-dibenzo[b,d]thiophene-5,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5218-1215
3-[2-(4-hydroxy-3,5-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]-5H-5lambda~6~-dibenzo[b,d]thiophene-5,5-dione

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

5218-1215

Molecular Formula

C29H22N2O5S (C29 H22 N2 O5 S)

Compound Name

3-[2-(4-hydroxy-3,5-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]-5H-5lambda~6~-dibenzo[b,d]thiophene-5,5-dione

IUPAC name

5-[2-(4-hydroxy-35-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]-8lambda6-thiatricyclo[7.4.0.0^{27}]trideca-1(13)246911-hexaene-88-dione

SMILES

COc1cc(-c2nc(-c(cc3)cc4c3-c(cccc3)c3S4(=O)=O)c(-c3ccccc3)[nH]2)cc(OC)c1O

InChI

InChI=1S/C29H22N2O5S/c1-35-22-14-19(15-23(36-2)28(22)32)29-30-26(17-8-4-3-5-9-17)27(31-29)18-12-13-21-20-10-6-7-11-24(20)37(33,34)25(21)16-18/h3-16,32H,1-2H3,(H,30,31)

InChI Key

UHTZGVJNUQCOJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03406266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.998

Distribution Coefficient, logD

4.962

Water Solubility, LogSw

-4.46

Polar Surface Area

80.289

Acid Dissociation Constant (pKa)

8.47

Base Dissociation Constant (pKb)

3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

5218-1215 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 5218-1215 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5218-1215?
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What is the minimum amount of 5218-1215 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5218-1215
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5218-1215
  • 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 5218-1215 available by request