4838-3398 Screening compound: 2-(5-{[(5E)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-9,10-dihydroanthracene-9,10-dione

4838-3398 Screening compound: 2-(5-{[(5E)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-9,10-dihydroanthracene-9,10-dione
4838-3398 Screening compound: 2-(5-{[(5E)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-9,10-dihydroanthracene-9,10-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4838-3398
2-(5-{[(5E)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-9,10-dihydroanthracene-9,10-dione

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

4838-3398

Molecular Formula

C22H11NO4S2 (C22 H11 NO4 S2)

Compound Name

2-(5-{[(5E)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-9,10-dihydroanthracene-9,10-dione

IUPAC name

2-(5-{[(5E)-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}furan-2-yl)-910-dihydroanthracene-910-dione

SMILES

O=C(/C(/S1)=C\c2ccc(-c(cc3)cc(C(c4c5cccc4)=O)c3C5=O)o2)NC1=S

InChI

InChI=1S/C22H11NO4S2/c24-19-13-3-1-2-4-14(13)20(25)16-9-11(5-7-15(16)19)17-8-6-12(27-17)10-18-21(26)23-22(28)29-18/h1-10H,(H,23,26,28)

InChI Key

VRVBZXJVFYVDLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07626740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.327

Distribution Coefficient, logD

2.935

Water Solubility, LogSw

-4.62

Polar Surface Area

58.412

Acid Dissociation Constant (pKa)

6.03

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4838-3398 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4838-3398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4838-3398?
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What is the minimum amount of 4838-3398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4838-3398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4838-3398
  • 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 4838-3398 available by request