4349-0017 Screening compound: methyl 2-[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]acetate

4349-0017 Screening compound: methyl 2-[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]acetate
4349-0017 Screening compound: methyl 2-[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4349-0017
methyl 2-[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]acetate

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

4349-0017

Molecular Formula

C12H8N2O3S (C12 H8 N2 O3 S)

Compound Name

methyl 2-[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]acetate

IUPAC name

methyl 2-[(4E)-3-oxo-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-4-ylidene]acetate

SMILES

COC(/C=C1/Sc2nc(cccc3)c3n2C1=O)=O

InChI

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

InChI Key

VLZGIOMCJDKQAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03159441

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

1.767

Distribution Coefficient, logD

1.767

Water Solubility, LogSw

-2.10

Polar Surface Area

45.303

Acid Dissociation Constant (pKa)

34.04

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

4349-0017 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

DGK Inhibitors Library (10558 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4349-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4349-0017?
Check Price and Availability of 4349-0017, 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 4349-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4349-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4349-0017
  • 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 4349-0017 available by request