8009-3106 Screening compound: 2,6-dimethoxy-4-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenyl acetate

8009-3106 Screening compound: 2,6-dimethoxy-4-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenyl acetate
8009-3106 Screening compound: 2,6-dimethoxy-4-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-3106
2,6-dimethoxy-4-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenyl 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

8009-3106

Molecular Formula

C20H16N2O5S (C20 H16 N2 O5 S)

Compound Name

2,6-dimethoxy-4-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenyl acetate

IUPAC name

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

SMILES

CC(Oc(c(OC)cc(/C=C1/Sc2nc(cccc3)c3n2C1=O)c1)c1OC)=O

InChI

InChI=1S/C20H16N2O5S/c1-11(23)27-18-15(25-2)8-12(9-16(18)26-3)10-17-19(24)22-14-7-5-4-6-13(14)21-20(22)28-17/h4-10H,1-3H3

InChI Key

ZAWRBZSIRVFBPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01571436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.027

Distribution Coefficient, logD

3.027

Water Solubility, LogSw

-3.31

Polar Surface Area

60.638

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

8009-3106 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8009-3106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-3106?
Check Price and Availability of 8009-3106, 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 8009-3106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-3106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-3106
  • 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 8009-3106 available by request