5218-1214 Screening compound: 3-[2-(2,3-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]-5H-5lambda~6~-dibenzo[b,d]thiophene-5,5-dione

5218-1214 Screening compound: 3-[2-(2,3-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]-5H-5lambda~6~-dibenzo[b,d]thiophene-5,5-dione
5218-1214 Screening compound: 3-[2-(2,3-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 5218-1214
3-[2-(2,3-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

5218-1214

Molecular Formula

C29H22N2O4S (C29 H22 N2 O4 S)

Compound Name

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

IUPAC name

5-[2-(23-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]-8lambda6-thiatricyclo[7.4.0.0^{27}]trideca-1(13)246911-hexaene-88-dione

SMILES

COc1cccc(-c2nc(-c(cc3)cc4c3-c(cccc3)c3S4(=O)=O)c(-c3ccccc3)[nH]2)c1OC

InChI

InChI=1S/C29H22N2O4S/c1-34-23-13-8-12-22(28(23)35-2)29-30-26(18-9-4-3-5-10-18)27(31-29)19-15-16-21-20-11-6-7-14-24(20)36(32,33)25(21)17-19/h3-17H,1-2H3,(H,30,31)

InChI Key

MJLBXFBHCNUKPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03406265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.644

Distribution Coefficient, logD

5.644

Water Solubility, LogSw

-5.70

Polar Surface Area

64.897

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

5218-1214 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

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

Regenerative Medicine Focused Library (23016 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 5218-1214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5218-1214?
Check Price and Availability of 5218-1214, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5218-1214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5218-1214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5218-1214
  • 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 5218-1214 available by request