8013-0053 Screening compound: (5E)-5-{[6-methyl-2-(piperidin-1-yl)quinolin-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

8013-0053 Screening compound: (5E)-5-{[6-methyl-2-(piperidin-1-yl)quinolin-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
8013-0053 Screening compound: (5E)-5-{[6-methyl-2-(piperidin-1-yl)quinolin-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0053
(5E)-5-{[6-methyl-2-(piperidin-1-yl)quinolin-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-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

8013-0053

Molecular Formula

C19H19N3OS2 (C19 H19 N3 OS2)

Compound Name

(5E)-5-{[6-methyl-2-(piperidin-1-yl)quinolin-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-{[6-methyl-2-(piperidin-1-yl)quinolin-3-yl]methylidene}-2-sulfanylidene-13-thiazolidin-4-one

SMILES

Cc(cc1cc2/C=C(\C(N3)=O)/SC3=S)ccc1nc2N1CCCCC1

InChI

InChI=1S/C19H19N3OS2/c1-12-5-6-15-13(9-12)10-14(11-16-18(23)21-19(24)25-16)17(20-15)22-7-3-2-4-8-22/h5-6,9-11H,2-4,7-8H2,1H3,(H,21,23,24)

InChI Key

JTMOEFAUGKYBTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.212

Distribution Coefficient, logD

2.583

Water Solubility, LogSw

-4.20

Polar Surface Area

36.616

Acid Dissociation Constant (pKa)

5.78

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with 8013-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0053?
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What is the minimum amount of 8013-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0053
  • 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 8013-0053 available by request