4578-1108 Screening compound: (5Z)-3-(butan-2-yl)-5-{[7-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

4578-1108 Screening compound: (5Z)-3-(butan-2-yl)-5-{[7-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
4578-1108 Screening compound: (5Z)-3-(butan-2-yl)-5-{[7-methyl-2-(4-methylpiperazin-1-yl)-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 4578-1108
(5Z)-3-(butan-2-yl)-5-{[7-methyl-2-(4-methylpiperazin-1-yl)-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

4578-1108

Molecular Formula

C22H27N5O2S2 (C22 H27 N5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)N(C(/C(/S1)=C/C2=C(N3CCN(C)CC3)N=C(C=CC(C)=C3)N3C2=O)=O)C1=S

InChI

InChI=1S/C22H27N5O2S2/c1-5-15(3)27-21(29)17(31-22(27)30)12-16-19(25-10-8-24(4)9-11-25)23-18-7-6-14(2)13-26(18)20(16)28/h6-7,12-13,15H,5,8-11H2,1-4H3/t15-/m0/s1

InChI Key

LFYYSNOYQFJEKU-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03304373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.62

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

2.714

Distribution Coefficient, logD

2.374

Water Solubility, LogSw

-2.80

Polar Surface Area

48.808

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

7.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with 4578-1108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4578-1108?
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What is the minimum amount of 4578-1108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4578-1108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4578-1108
  • 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 4578-1108 available by request