4618-0394 Screening compound: (5Z)-3-(2-methylpropyl)-5-[(2-{[3-(morpholin-4-yl)propyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

4618-0394 Screening compound: (5Z)-3-(2-methylpropyl)-5-[(2-{[3-(morpholin-4-yl)propyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
4618-0394 Screening compound: (5Z)-3-(2-methylpropyl)-5-[(2-{[3-(morpholin-4-yl)propyl]amino}-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 4618-0394
(5Z)-3-(2-methylpropyl)-5-[(2-{[3-(morpholin-4-yl)propyl]amino}-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

4618-0394

Molecular Formula

C23H29N5O3S2 (C23 H29 N5 O3 S2)

Compound Name

(5Z)-3-(2-methylpropyl)-5-[(2-{[3-(morpholin-4-yl)propyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-3-(2-methylpropyl)-5-[(2-{[3-(morpholin-4-yl)propyl]amino}-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CC(C)CN(C(/C(/S1)=C/C2=C(NCCCN3CCOCC3)N=C(C=CC=C3)N3C2=O)=O)C1=S

InChI

InChI=1S/C23H29N5O3S2/c1-16(2)15-28-22(30)18(33-23(28)32)14-17-20(24-7-5-8-26-10-12-31-13-11-26)25-19-6-3-4-9-27(19)21(17)29/h3-4,6,9,14,16,24H,5,7-8,10-13,15H2,1-2H3

InChI Key

FAVMAQDOUSMLPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03284418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.046

Distribution Coefficient, logD

1.874

Water Solubility, LogSw

-2.46

Polar Surface Area

63.189

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

References: we are preparing a list of scientific research reports with 4618-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4618-0394?
Check Price and Availability of 4618-0394, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4618-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4618-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4618-0394
  • 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 4618-0394 available by request