4428-0495 Screening compound: (5Z)-5-{[9-methyl-4-oxo-2-(propylamino)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

4428-0495 Screening compound: (5Z)-5-{[9-methyl-4-oxo-2-(propylamino)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
4428-0495 Screening compound: (5Z)-5-{[9-methyl-4-oxo-2-(propylamino)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4428-0495
(5Z)-5-{[9-methyl-4-oxo-2-(propylamino)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-(1-phenylethyl)-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

4428-0495

Molecular Formula

C24H24N4O2S2 (C24 H24 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCNC(N=C1N2C=CC=C1C)=C(/C=C(/C(N1C(C)c3ccccc3)=O)\SC1=S)C2=O

InChI

InChI=1S/C24H24N4O2S2/c1-4-12-25-20-18(22(29)27-13-8-9-15(2)21(27)26-20)14-19-23(30)28(24(31)32-19)16(3)17-10-6-5-7-11-17/h5-11,13-14,16,25H,4,12H2,1-3H3/t16-/m0/s1

InChI Key

KNJGIJBMFHFMMJ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02977712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.925

Distribution Coefficient, logD

3.925

Water Solubility, LogSw

-3.97

Polar Surface Area

49.660

Acid Dissociation Constant (pKa)

11.62

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 4428-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4428-0495?
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What is the minimum amount of 4428-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4428-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4428-0495
  • 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 4428-0495 available by request