4428-0472 Screening compound: (5Z)-3-ethyl-5-{[4-oxo-2-(propylamino)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

4428-0472 Screening compound: (5Z)-3-ethyl-5-{[4-oxo-2-(propylamino)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
4428-0472 Screening compound: (5Z)-3-ethyl-5-{[4-oxo-2-(propylamino)-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 4428-0472
(5Z)-3-ethyl-5-{[4-oxo-2-(propylamino)-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

4428-0472

Molecular Formula

C17H18N4O2S2 (C17 H18 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCNC(N=C1N2C=CC=C1)=C(/C=C(/C(N1CC)=O)\SC1=S)C2=O

InChI

InChI=1S/C17H18N4O2S2/c1-3-8-18-14-11(10-12-16(23)20(4-2)17(24)25-12)15(22)21-9-6-5-7-13(21)19-14/h5-7,9-10,18H,3-4,8H2,1-2H3

InChI Key

NYXKHLIHQFNBQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02977687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.135

Distribution Coefficient, logD

2.135

Water Solubility, LogSw

-2.43

Polar Surface Area

51.295

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with 4428-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4428-0472?
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What is the minimum amount of 4428-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4428-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4428-0472
  • 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 4428-0472 available by request