3601-0193 Screening compound: 2,6-dimethoxy-4-{[8-methyl-3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenyl acetate

3601-0193 Screening compound: 2,6-dimethoxy-4-{[8-methyl-3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenyl acetate
3601-0193 Screening compound: 2,6-dimethoxy-4-{[8-methyl-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 3601-0193
2,6-dimethoxy-4-{[8-methyl-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

3601-0193

Molecular Formula

C21H18N2O5S (C21 H18 N2 O5 S)

Compound Name

2,6-dimethoxy-4-{[8-methyl-3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenyl acetate

IUPAC name

26-dimethoxy-4-{[(4Z)-9-methyl-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(c(C)ccc3)c3n2C1=O)c1)c1OC)=O

InChI

InChI=1S/C21H18N2O5S/c1-11-6-5-7-14-18(11)22-21-23(14)20(25)17(29-21)10-13-8-15(26-3)19(28-12(2)24)16(9-13)27-4/h5-10H,1-4H3

InChI Key

DOEHSODCOBYBAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.45

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

3.377

Distribution Coefficient, logD

3.377

Water Solubility, LogSw

-3.74

Polar Surface Area

61.408

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

3601-0193 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 3601-0193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3601-0193?
Check Price and Availability of 3601-0193, 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 3601-0193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3601-0193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3601-0193
  • 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 3601-0193 available by request