8319-0174 Screening compound: 2-(tert-butyl)-7,8-dimethyl-4H-[1,3]thiazino[3,2-a][1,3]benzimidazol-4-ol

8319-0174 Screening compound: 2-(tert-butyl)-7,8-dimethyl-4H-[1,3]thiazino[3,2-a][1,3]benzimidazol-4-ol
8319-0174 Screening compound: 2-(tert-butyl)-7,8-dimethyl-4H-[1,3]thiazino[3,2-a][1,3]benzimidazol-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8319-0174
2-(tert-butyl)-7,8-dimethyl-4H-[1,3]thiazino[3,2-a][1,3]benzimidazol-4-ol

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

8319-0174

Molecular Formula

C16H20N2OS (C16 H20 N2 OS)

Compound Name

2-(tert-butyl)-7,8-dimethyl-4H-[1,3]thiazino[3,2-a][1,3]benzimidazol-4-ol

IUPAC name

11-tert-butyl-45-dimethyl-10-thia-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)35811-pentaen-13-ol

SMILES

CC(C)(C)C(Sc1nc(cc(C)c(C)c2)c2n11)=CC1O

InChI

InChI=1S/C16H20N2OS/c1-9-6-11-12(7-10(9)2)18-14(19)8-13(16(3,4)5)20-15(18)17-11/h6-8,14,19H,1-5H3/t14-/m1/s1

InChI Key

FGDRLDHMGVONPQ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD07168897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.370

Distribution Coefficient, logD

4.370

Water Solubility, LogSw

-4.31

Polar Surface Area

27.837

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

8319-0174 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8319-0174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8319-0174?
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What is the minimum amount of 8319-0174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8319-0174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8319-0174
  • 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 8319-0174 available by request