3541-1319 Screening compound: (5Z)-5-{[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

3541-1319 Screening compound: (5Z)-5-{[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
3541-1319 Screening compound: (5Z)-5-{[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3541-1319
(5Z)-5-{[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-[(oxolan-2-yl)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

3541-1319

Molecular Formula

C23H27N5O3S2 (C23 H27 N5 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C1=NC(N2CCN(C)CC2)=C2/C=C(/C(N3CC4OCCC4)=O)\SC3=S)=CC=CN1C2=O

InChI

InChI=1S/C23H27N5O3S2/c1-15-5-3-7-27-19(15)24-20(26-10-8-25(2)9-11-26)17(21(27)29)13-18-22(30)28(23(32)33-18)14-16-6-4-12-31-16/h3,5,7,13,16H,4,6,8-12,14H2,1-2H3/t16-/m1/s1

InChI Key

OBFGDSPJHFKSMP-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD01953443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.555

Distribution Coefficient, logD

1.215

Water Solubility, LogSw

-1.89

Polar Surface Area

56.387

Acid Dissociation Constant (pKa)

26.64

Base Dissociation Constant (pKb)

7.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

References: we are preparing a list of scientific research reports with 3541-1319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3541-1319?
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What is the minimum amount of 3541-1319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3541-1319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3541-1319
  • 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 3541-1319 available by request