3201-0172 Screening compound: 4-(4-dibenzo[b,d]thiophen-2-yl-5-phenyl-1H-imidazol-2-yl)-2-methoxyphenyl methyl ether

3201-0172 Screening compound: 4-(4-dibenzo[b,d]thiophen-2-yl-5-phenyl-1H-imidazol-2-yl)-2-methoxyphenyl methyl ether
3201-0172 Screening compound: 4-(4-dibenzo[b,d]thiophen-2-yl-5-phenyl-1H-imidazol-2-yl)-2-methoxyphenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 3201-0172
4-(4-dibenzo[b,d]thiophen-2-yl-5-phenyl-1H-imidazol-2-yl)-2-methoxyphenyl methyl ether

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

3201-0172

Molecular Formula

C29H22N2O2S (C29 H22 N2 O2 S)

Compound Name

4-(4-dibenzo[b,d]thiophen-2-yl-5-phenyl-1H-imidazol-2-yl)-2-methoxyphenyl methyl ether

IUPAC name

2-(34-dimethoxyphenyl)-5-phenyl-4-{8-thiatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaen-4-yl}-1H-imidazole

SMILES

COc(ccc(-c1nc(-c(cc2)cc3c2sc2c3cccc2)c(-c2ccccc2)[nH]1)c1)c1OC

InChI

InChI=1S/C29H22N2O2S/c1-32-23-14-12-20(17-24(23)33-2)29-30-27(18-8-4-3-5-9-18)28(31-29)19-13-15-26-22(16-19)21-10-6-7-11-25(21)34-26/h3-17H,1-2H3,(H,30,31)

InChI Key

SVYCMQIVESQGCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02008917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.57

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.516

Distribution Coefficient, logD

7.514

Water Solubility, LogSw

-6.22

Polar Surface Area

36.290

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

3201-0172 in Drug Discovery

Included in Screening Libraries

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:
  • 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 3201-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3201-0172?
Check Price and Availability of 3201-0172, 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 3201-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3201-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3201-0172
  • 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 3201-0172 available by request