3601-0586 Screening compound: ethyl 4-{5-[(1E)-2-cyano-2-(5-methyl-1H-1,3-benzodiazol-2-yl)eth-1-en-1-yl]furan-2-yl}benzoate

3601-0586 Screening compound: ethyl 4-{5-[(1E)-2-cyano-2-(5-methyl-1H-1,3-benzodiazol-2-yl)eth-1-en-1-yl]furan-2-yl}benzoate
3601-0586 Screening compound: ethyl 4-{5-[(1E)-2-cyano-2-(5-methyl-1H-1,3-benzodiazol-2-yl)eth-1-en-1-yl]furan-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3601-0586
ethyl 4-{5-[(1E)-2-cyano-2-(5-methyl-1H-1,3-benzodiazol-2-yl)eth-1-en-1-yl]furan-2-yl}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

3601-0586

Molecular Formula

C24H19N3O3 (C24 H19 N3 O3)

Compound Name

ethyl 4-{5-[(1E)-2-cyano-2-(5-methyl-1H-1,3-benzodiazol-2-yl)eth-1-en-1-yl]furan-2-yl}benzoate

IUPAC name

ethyl 4-{5-[(1E)-2-cyano-2-(5-methyl-1H-13-benzodiazol-2-yl)eth-1-en-1-yl]furan-2-yl}benzoate

SMILES

CCOC(c(cc1)ccc1-c1ccc(/C=C(/c2nc(cc(C)cc3)c3[nH]2)\C#N)o1)=O

InChI

InChI=1S/C24H19N3O3/c1-3-29-24(28)17-7-5-16(6-8-17)22-11-9-19(30-22)13-18(14-25)23-26-20-10-4-15(2)12-21(20)27-23/h4-13H,3H2,1-2H3,(H,26,27)

InChI Key

RDDFHTFRYWRJAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02623545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.903

Distribution Coefficient, logD

5.902

Water Solubility, LogSw

-5.41

Polar Surface Area

64.638

Acid Dissociation Constant (pKa)

10.58

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

3601-0586 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3601-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3601-0586?
Check Price and Availability of 3601-0586, 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 3601-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3601-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3601-0586
  • 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 3601-0586 available by request