8014-5214 Screening compound: 3-[4-(dimethylamino)phenyl]-5-(2-oxo-1,2-dihydro-3H-indol-3-yliden)-2-thioxo-1,3-thiazolan-4-one

8014-5214 Screening compound: 3-[4-(dimethylamino)phenyl]-5-(2-oxo-1,2-dihydro-3H-indol-3-yliden)-2-thioxo-1,3-thiazolan-4-one
8014-5214 Screening compound: 3-[4-(dimethylamino)phenyl]-5-(2-oxo-1,2-dihydro-3H-indol-3-yliden)-2-thioxo-1,3-thiazolan-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-5214
3-[4-(dimethylamino)phenyl]-5-(2-oxo-1,2-dihydro-3H-indol-3-yliden)-2-thioxo-1,3-thiazolan-4-one

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

8014-5214

Molecular Formula

C19H15N3O2S2 (C19 H15 N3 O2 S2)

Compound Name

3-[4-(dimethylamino)phenyl]-5-(2-oxo-1,2-dihydro-3H-indol-3-yliden)-2-thioxo-1,3-thiazolan-4-one

IUPAC name

3-[(5Z)-3-[4-(dimethylamino)phenyl]-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]-23-dihydro-1H-indol-2-one

SMILES

CN(C)c(cc1)ccc1N(C(/C(/S1)=C(\c(cccc2)c2N2)/C2=O)=O)C1=S

InChI

InChI=1S/C19H15N3O2S2/c1-21(2)11-7-9-12(10-8-11)22-18(24)16(26-19(22)25)15-13-5-3-4-6-14(13)20-17(15)23/h3-10H,1-2H3,(H,20,23)

InChI Key

MBXCUBQKCSFVAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03297668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.142

Distribution Coefficient, logD

3.141

Water Solubility, LogSw

-3.80

Polar Surface Area

43.879

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

8.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.53

References: we are preparing a list of scientific research reports with 8014-5214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-5214?
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What is the minimum amount of 8014-5214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-5214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-5214
  • 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 8014-5214 available by request