4578-0457 Screening compound: (5Z)-5-{[2-(4-benzylpiperidin-1-yl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

4578-0457 Screening compound: (5Z)-5-{[2-(4-benzylpiperidin-1-yl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
4578-0457 Screening compound: (5Z)-5-{[2-(4-benzylpiperidin-1-yl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4578-0457
(5Z)-5-{[2-(4-benzylpiperidin-1-yl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-methyl-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

4578-0457

Molecular Formula

C26H26N4O2S2 (C26 H26 N4 O2 S2)

Compound Name

(5Z)-5-{[2-(4-benzylpiperidin-1-yl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-5-{[2-(4-benzylpiperidin-1-yl)-7-methyl-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl]methylidene}-3-methyl-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CC(C=CC1=NC(N2CCC(Cc3ccccc3)CC2)=C2/C=C(/C(N3C)=O)\SC3=S)=CN1C2=O

InChI

InChI=1S/C26H26N4O2S2/c1-17-8-9-22-27-23(29-12-10-19(11-13-29)14-18-6-4-3-5-7-18)20(24(31)30(22)16-17)15-21-25(32)28(2)26(33)34-21/h3-9,15-16,19H,10-14H2,1-2H3

InChI Key

LCCCGLBFRKLYMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03462370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.363

Distribution Coefficient, logD

4.363

Water Solubility, LogSw

-4.39

Polar Surface Area

45.520

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with 4578-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4578-0457?
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What is the minimum amount of 4578-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4578-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4578-0457
  • 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 4578-0457 available by request