4490-1966 Screening compound: 2-(5-{[(5E)-3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

4490-1966 Screening compound: 2-(5-{[(5E)-3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid
4490-1966 Screening compound: 2-(5-{[(5E)-3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4490-1966
2-(5-{[(5E)-3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

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

4490-1966

Molecular Formula

C16H11NO4S2 (C16 H11 NO4 S2)

Compound Name

2-(5-{[(5E)-3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

IUPAC name

2-(5-{[(5E)-3-methyl-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

SMILES

CN(C(/C(/S1)=C\c2ccc(-c(cccc3)c3C(O)=O)o2)=O)C1=S

InChI

InChI=1S/C16H11NO4S2/c1-17-14(18)13(23-16(17)22)8-9-6-7-12(21-9)10-4-2-3-5-11(10)15(19)20/h2-8H,1H3,(H,19,20)

InChI Key

NALJHIBBHFGEQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02630507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.050

Distribution Coefficient, logD

-1.003

Water Solubility, LogSw

-3.34

Polar Surface Area

52.458

Acid Dissociation Constant (pKa)

3.35

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

4490-1966 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 4490-1966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4490-1966?
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What is the minimum amount of 4490-1966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4490-1966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4490-1966
  • 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 4490-1966 available by request