3541-1298 Screening compound: (5Z)-5-({2-[benzyl(methyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-3-butyl-2-sulfanylidene-1,3-thiazolidin-4-one

3541-1298 Screening compound: (5Z)-5-({2-[benzyl(methyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-3-butyl-2-sulfanylidene-1,3-thiazolidin-4-one
3541-1298 Screening compound: (5Z)-5-({2-[benzyl(methyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-3-butyl-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3541-1298
(5Z)-5-({2-[benzyl(methyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-3-butyl-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

3541-1298

Molecular Formula

C25H26N4O2S2 (C25 H26 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C(/C(/S1)=C/C2=C(N(C)Cc3ccccc3)N=C(C(C)=CC=C3)N3C2=O)=O)C1=S

InChI

InChI=1S/C25H26N4O2S2/c1-4-5-13-29-24(31)20(33-25(29)32)15-19-22(27(3)16-18-11-7-6-8-12-18)26-21-17(2)10-9-14-28(21)23(19)30/h6-12,14-15H,4-5,13,16H2,1-3H3

InChI Key

NCCNPWCSGBPJRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01946386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.628

Distribution Coefficient, logD

4.628

Water Solubility, LogSw

-4.25

Polar Surface Area

44.009

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with 3541-1298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3541-1298?
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What is the minimum amount of 3541-1298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3541-1298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3541-1298
  • 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 3541-1298 available by request