4678-0019 Screening compound: (5Z)-5-{[9-methyl-4-oxo-2-(propylamino)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

4678-0019 Screening compound: (5Z)-5-{[9-methyl-4-oxo-2-(propylamino)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
4678-0019 Screening compound: (5Z)-5-{[9-methyl-4-oxo-2-(propylamino)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4678-0019
(5Z)-5-{[9-methyl-4-oxo-2-(propylamino)-4H-pyrido[1,2-a]pyrimidin-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

4678-0019

Molecular Formula

C16H16N4O2S2 (C16 H16 N4 O2 S2)

Compound Name

(5Z)-5-{[9-methyl-4-oxo-2-(propylamino)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-5-{[9-methyl-4-oxo-2-(propylamino)-4H-pyrido[12-a]pyrimidin-3-yl]methylidene}-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CCCNC(N=C1N2C=CC=C1C)=C(/C=C(/C(N1)=O)\SC1=S)C2=O

InChI

InChI=1S/C16H16N4O2S2/c1-3-6-17-12-10(8-11-14(21)19-16(23)24-11)15(22)20-7-4-5-9(2)13(20)18-12/h4-5,7-8,17H,3,6H2,1-2H3,(H,19,21,23)

InChI Key

MUYMJTJQJJCERV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02977705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.966

Distribution Coefficient, logD

-3.925

Water Solubility, LogSw

-1.97

Polar Surface Area

58.777

Acid Dissociation Constant (pKa)

2.51

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 4678-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4678-0019?
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What is the minimum amount of 4678-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4678-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4678-0019
  • 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 4678-0019 available by request