3312-0060 Screening compound: 3-[3,5-di(tert-butyl)-4-hydroxyphenyl]-10-methyl-2H-[1,3,4]thiadiazino[2,3-b][1,3]benzimidazol-10-ium

3312-0060 Screening compound: 3-[3,5-di(tert-butyl)-4-hydroxyphenyl]-10-methyl-2H-[1,3,4]thiadiazino[2,3-b][1,3]benzimidazol-10-ium
3312-0060 Screening compound: 3-[3,5-di(tert-butyl)-4-hydroxyphenyl]-10-methyl-2H-[1,3,4]thiadiazino[2,3-b][1,3]benzimidazol-10-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 3312-0060
3-[3,5-di(tert-butyl)-4-hydroxyphenyl]-10-methyl-2H-[1,3,4]thiadiazino[2,3-b][1,3]benzimidazol-10-ium

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

3312-0060

Molecular Formula

C24H30N3OS (C24 H30 N3 OS)

Compound Name

3-[3,5-di(tert-butyl)-4-hydroxyphenyl]-10-methyl-2H-[1,3,4]thiadiazino[2,3-b][1,3]benzimidazol-10-ium

IUPAC name

12-(35-di-tert-butyl-4-hydroxyphenyl)-8-methyl-10-thia-1813-triazatricyclo[7.4.0.0^{27}]trideca-2(7)35812-pentaen-8-ium

SMILES

CC(C)(C)c1cc(C(CS2)=Nn3c2[n+](C)c2c3cccc2)cc(C(C)(C)C)c1O

InChI

InChI=1S/C24H29N3OS/c1-23(2,3)16-12-15(13-17(21(16)28)24(4,5)6)18-14-29-22-26(7)19-10-8-9-11-20(19)27(22)25-18/h8-13H,14H2,1-7H3/p+1

InChI Key

BPADMUDPNVXFJF-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD02042689

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

408.59

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.489

Distribution Coefficient, logD

6.489

Water Solubility, LogSw

-5.88

Polar Surface Area

26.600

Acid Dissociation Constant (pKa)

11.55

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

3312-0060 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Transcription Factors Annotated Library (5098 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3312-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3312-0060?
Check Price and Availability of 3312-0060, 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 3312-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3312-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3312-0060
  • 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 3312-0060 available by request