C301-6891 Screening compound: ethyl 4-(5-{[(2E,5Z)-4-oxo-2-{2-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-ylidene}-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoate

C301-6891 Screening compound: ethyl 4-(5-{[(2E,5Z)-4-oxo-2-{2-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-ylidene}-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoate
C301-6891 Screening compound: ethyl 4-(5-{[(2E,5Z)-4-oxo-2-{2-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-ylidene}-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6891
ethyl 4-(5-{[(2E,5Z)-4-oxo-2-{2-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-ylidene}-1,3-thiazolidin-5-ylidene]methyl}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

C301-6891

Molecular Formula

C25H18N4O5S (C25 H18 N4 O5 S)

Compound Name

ethyl 4-(5-{[(2E,5Z)-4-oxo-2-{2-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-ylidene}-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoate

IUPAC name

ethyl 4-(5-{[(2E5Z)-4-oxo-2-{2-[(3Z)-2-oxo-23-dihydro-1H-indol-3-ylidene]hydrazin-1-ylidene}-13-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoate

SMILES

CCOC(c(cc1)ccc1-c1ccc(/C=C(/C(N2)=O)\S/C2=N/N=C(/c(cccc2)c2N2)\C2=O)o1)=O

InChI

InChI=1S/C25H18N4O5S/c1-2-33-24(32)15-9-7-14(8-10-15)19-12-11-16(34-19)13-20-22(30)27-25(35-20)29-28-21-17-5-3-4-6-18(17)26-23(21)31/h3-13H,2H2,1H3,(H,26,28,31)(H,27,29,30)

InChI Key

JWZYOTJAAKYFRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.927

Distribution Coefficient, logD

4.908

Water Solubility, LogSw

-4.51

Polar Surface Area

96.552

Acid Dissociation Constant (pKa)

8.76

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

C301-6891 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-6891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6891?
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What is the minimum amount of C301-6891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6891
  • 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 C301-6891 available by request