3541-1313 Screening compound: (5Z)-3-butyl-5-{[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

3541-1313 Screening compound: (5Z)-3-butyl-5-{[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
3541-1313 Screening compound: (5Z)-3-butyl-5-{[9-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 3541-1313
(5Z)-3-butyl-5-{[9-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

3541-1313

Molecular Formula

C22H27N5O2S2 (C22 H27 N5 O2 S2)

Compound Name

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

SMILES

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

InChI

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

InChI Key

MMHOTJTVYBOXGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01954452

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

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.774

Distribution Coefficient, logD

2.434

Water Solubility, LogSw

-2.72

Polar Surface Area

47.983

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

7.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with 3541-1313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3541-1313?
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What is the minimum amount of 3541-1313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3541-1313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3541-1313
  • 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 3541-1313 available by request