F692-0339 Screening compound: methyl 3-{[(7,8-dimethyl-4-oxo-4H-[1,3]thiazino[3,2-a][1,3]benzimidazol-2-yl)carbonyl]amino}-2-thiophenecarboxylate

F692-0339 Screening compound: methyl 3-{[(7,8-dimethyl-4-oxo-4H-[1,3]thiazino[3,2-a][1,3]benzimidazol-2-yl)carbonyl]amino}-2-thiophenecarboxylate
F692-0339 Screening compound: methyl 3-{[(7,8-dimethyl-4-oxo-4H-[1,3]thiazino[3,2-a][1,3]benzimidazol-2-yl)carbonyl]amino}-2-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F692-0339
methyl 3-{[(7,8-dimethyl-4-oxo-4H-[1,3]thiazino[3,2-a][1,3]benzimidazol-2-yl)carbonyl]amino}-2-thiophenecarboxylate

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

F692-0339

Molecular Formula

C19H15N3O4S2 (C19 H15 N3 O4 S2)

Compound Name

methyl 3-{[(7,8-dimethyl-4-oxo-4H-[1,3]thiazino[3,2-a][1,3]benzimidazol-2-yl)carbonyl]amino}-2-thiophenecarboxylate

IUPAC name

methyl 3-{45-dimethyl-13-oxo-10-thia-18-diazatricyclo[7.4.0.0^{27}]trideca-246811-pentaene-11-amido}thiophene-2-carboxylate

SMILES

Cc(c(C)c1)cc(n23)c1nc3SC(C(Nc1c(C(OC)=O)scc1)=O)=CC2=O

InChI

InChI=1S/C19H15N3O4S2/c1-9-6-12-13(7-10(9)2)22-15(23)8-14(28-19(22)21-12)17(24)20-11-4-5-27-16(11)18(25)26-3/h4-8H,1-3H3,(H,20,24)

InChI Key

OIVXHTGMPBGATO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14963809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.715

Distribution Coefficient, logD

3.199

Water Solubility, LogSw

-4.13

Polar Surface Area

69.222

Acid Dissociation Constant (pKa)

7.04

Base Dissociation Constant (pKb)

-4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

F692-0339 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F692-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F692-0339?
Check Price and Availability of F692-0339, 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 F692-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F692-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F692-0339
  • 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 F692-0339 available by request