4578-0337 Screening compound: (5Z)-5-{[2-(4-benzylpiperazin-1-yl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

4578-0337 Screening compound: (5Z)-5-{[2-(4-benzylpiperazin-1-yl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
4578-0337 Screening compound: (5Z)-5-{[2-(4-benzylpiperazin-1-yl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4578-0337
(5Z)-5-{[2-(4-benzylpiperazin-1-yl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-(prop-2-en-1-yl)-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

4578-0337

Molecular Formula

C27H27N5O2S2 (C27 H27 N5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C=CC1=NC(N2CCN(Cc3ccccc3)CC2)=C2/C=C(/C(N3CC=C)=O)\SC3=S)=CN1C2=O

InChI

InChI=1S/C27H27N5O2S2/c1-3-11-31-26(34)22(36-27(31)35)16-21-24(28-23-10-9-19(2)17-32(23)25(21)33)30-14-12-29(13-15-30)18-20-7-5-4-6-8-20/h3-10,16-17H,1,11-15,18H2,2H3

InChI Key

OHBZRSZBCVOPQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02998457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.528

Distribution Coefficient, logD

3.478

Water Solubility, LogSw

-3.61

Polar Surface Area

49.545

Acid Dissociation Constant (pKa)

28.77

Base Dissociation Constant (pKb)

6.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with 4578-0337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4578-0337?
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What is the minimum amount of 4578-0337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4578-0337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4578-0337
  • 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 4578-0337 available by request