F692-0281 Screening compound: N~2~-(1,3-benzodioxol-5-ylmethyl)-7,8-dimethyl-4-oxo-4H-[1,3]thiazino[3,2-a][1,3]benzimidazole-2-carboxamide

F692-0281 Screening compound: N~2~-(1,3-benzodioxol-5-ylmethyl)-7,8-dimethyl-4-oxo-4H-[1,3]thiazino[3,2-a][1,3]benzimidazole-2-carboxamide
F692-0281 Screening compound: N~2~-(1,3-benzodioxol-5-ylmethyl)-7,8-dimethyl-4-oxo-4H-[1,3]thiazino[3,2-a][1,3]benzimidazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F692-0281
N~2~-(1,3-benzodioxol-5-ylmethyl)-7,8-dimethyl-4-oxo-4H-[1,3]thiazino[3,2-a][1,3]benzimidazole-2-carboxamide

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

F692-0281

Molecular Formula

C21H17N3O4S (C21 H17 N3 O4 S)

Compound Name

N~2~-(1,3-benzodioxol-5-ylmethyl)-7,8-dimethyl-4-oxo-4H-[1,3]thiazino[3,2-a][1,3]benzimidazole-2-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-45-dimethyl-13-oxo-10-thia-18-diazatricyclo[7.4.0.0^{27}]trideca-246811-pentaene-11-carboxamide

SMILES

Cc(c(C)c1)cc(n23)c1nc3SC(C(NCc(cc1)cc3c1OCO3)=O)=CC2=O

InChI

InChI=1S/C21H17N3O4S/c1-11-5-14-15(6-12(11)2)24-19(25)8-18(29-21(24)23-14)20(26)22-9-13-3-4-16-17(7-13)28-10-27-16/h3-8H,9-10H2,1-2H3,(H,22,26)

InChI Key

CXSHKOPXJBGLGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14963776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.684

Distribution Coefficient, logD

3.684

Water Solubility, LogSw

-4.03

Polar Surface Area

66.165

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.05

F692-0281 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F692-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F692-0281?
Check Price and Availability of F692-0281, 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 F692-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F692-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F692-0281
  • 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 F692-0281 available by request