3785-0196 Screening compound: methyl 4-oxo-4H-[1,3]thiazino[3,2-a][1,3]benzimidazole-2-carboxylate

3785-0196 Screening compound: methyl 4-oxo-4H-[1,3]thiazino[3,2-a][1,3]benzimidazole-2-carboxylate
3785-0196 Screening compound: methyl 4-oxo-4H-[1,3]thiazino[3,2-a][1,3]benzimidazole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3785-0196
methyl 4-oxo-4H-[1,3]thiazino[3,2-a][1,3]benzimidazole-2-carboxylate

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

3785-0196

Molecular Formula

C12H8N2O3S (C12 H8 N2 O3 S)

Compound Name

methyl 4-oxo-4H-[1,3]thiazino[3,2-a][1,3]benzimidazole-2-carboxylate

IUPAC name

methyl 13-oxo-10-thia-18-diazatricyclo[7.4.0.0^{27}]trideca-246811-pentaene-11-carboxylate

SMILES

COC(C(Sc1nc(cccc2)c2n11)=CC1=O)=O

InChI

InChI=1S/C12H8N2O3S/c1-17-11(16)9-6-10(15)14-8-5-3-2-4-7(8)13-12(14)18-9/h2-6H,1H3

InChI Key

YNMLSCKHCOWCCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00116687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.832

Distribution Coefficient, logD

1.832

Water Solubility, LogSw

-2.06

Polar Surface Area

45.810

Acid Dissociation Constant (pKa)

33.61

Base Dissociation Constant (pKb)

-2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

3785-0196 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 3785-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3785-0196?
Check Price and Availability of 3785-0196, 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 3785-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3785-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3785-0196
  • 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 3785-0196 available by request