4578-0295 Screening compound: (5Z)-3-cyclohexyl-5-{[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

4578-0295 Screening compound: (5Z)-3-cyclohexyl-5-{[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
4578-0295 Screening compound: (5Z)-3-cyclohexyl-5-{[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-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 4578-0295
(5Z)-3-cyclohexyl-5-{[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-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

4578-0295

Molecular Formula

C25H31N5O2S2 (C25 H31 N5 O2 S2)

Compound Name

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

IUPAC name

(5Z)-3-cyclohexyl-5-{[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl]methylidene}-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CCN(CC1)CCN1C(N=C1N2C=CC=C1C)=C(/C=C(/C(N1C3CCCCC3)=O)\SC1=S)C2=O

InChI

InChI=1S/C25H31N5O2S2/c1-3-27-12-14-28(15-13-27)22-19(23(31)29-11-7-8-17(2)21(29)26-22)16-20-24(32)30(25(33)34-20)18-9-5-4-6-10-18/h7-8,11,16,18H,3-6,9-10,12-15H2,1-2H3

InChI Key

ZBBZIZNJQCXFOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02994397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.69

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.508

Distribution Coefficient, logD

3.078

Water Solubility, LogSw

-3.63

Polar Surface Area

47.015

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

7.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

References: we are preparing a list of scientific research reports with 4578-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4578-0295?
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What is the minimum amount of 4578-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4578-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4578-0295
  • 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 4578-0295 available by request