4678-0231 Screening compound: (5Z)-5-{[7-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one

4678-0231 Screening compound: (5Z)-5-{[7-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
4678-0231 Screening compound: (5Z)-5-{[7-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4678-0231
(5Z)-5-{[7-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-(2-methylpropyl)-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

4678-0231

Molecular Formula

C23H28N4O2S2 (C23 H28 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CN(C(/C(/S1)=C/C2=C(N3CCC(C)CC3)N=C(C=CC(C)=C3)N3C2=O)=O)C1=S

InChI

InChI=1S/C23H28N4O2S2/c1-14(2)12-27-22(29)18(31-23(27)30)11-17-20(25-9-7-15(3)8-10-25)24-19-6-5-16(4)13-26(19)21(17)28/h5-6,11,13-15H,7-10,12H2,1-4H3

InChI Key

APEVOHBMQMZZBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02977881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.298

Distribution Coefficient, logD

4.298

Water Solubility, LogSw

-4.14

Polar Surface Area

46.026

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

References: we are preparing a list of scientific research reports with 4678-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4678-0231?
Check Price and Availability of 4678-0231, 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 4678-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4678-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4678-0231
  • 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 4678-0231 available by request