4244-2290 Screening compound: ethyl 4-(5-{[7,8-dimethyl-3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-2-furyl)benzoate

4244-2290 Screening compound: ethyl 4-(5-{[7,8-dimethyl-3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-2-furyl)benzoate
4244-2290 Screening compound: ethyl 4-(5-{[7,8-dimethyl-3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-2-furyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4244-2290
ethyl 4-(5-{[7,8-dimethyl-3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-2-furyl)benzoate

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

4244-2290

Molecular Formula

C25H20N2O4S (C25 H20 N2 O4 S)

Compound Name

ethyl 4-(5-{[7,8-dimethyl-3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-2-furyl)benzoate

IUPAC name

ethyl 4-(5-{[(4E)-910-dimethyl-3-oxo-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-4-ylidene]methyl}furan-2-yl)benzoate

SMILES

CCOC(c(cc1)ccc1-c1ccc(/C=C2/Sc3nc(c(C)c(C)cc4)c4n3C2=O)o1)=O

InChI

InChI=1S/C25H20N2O4S/c1-4-30-24(29)17-8-6-16(7-9-17)20-12-10-18(31-20)13-21-23(28)27-19-11-5-14(2)15(3)22(19)26-25(27)32-21/h5-13H,4H2,1-3H3

InChI Key

LWCINESZSACHRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.369

Distribution Coefficient, logD

6.369

Water Solubility, LogSw

-5.58

Polar Surface Area

53.547

Acid Dissociation Constant (pKa)

24.32

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

4244-2290 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 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 4244-2290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4244-2290?
Check Price and Availability of 4244-2290, 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 4244-2290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4244-2290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4244-2290
  • 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 4244-2290 available by request