4428-0207 Screening compound: (5Z)-3-ethyl-5-{[9-methyl-2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

4428-0207 Screening compound: (5Z)-3-ethyl-5-{[9-methyl-2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
4428-0207 Screening compound: (5Z)-3-ethyl-5-{[9-methyl-2-(methylamino)-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 4428-0207
(5Z)-3-ethyl-5-{[9-methyl-2-(methylamino)-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

4428-0207

Molecular Formula

C16H16N4O2S2 (C16 H16 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCN(C(/C(/S1)=C/C2=C(NC)N=C(C(C)=CC=C3)N3C2=O)=O)C1=S

InChI

InChI=1S/C16H16N4O2S2/c1-4-19-15(22)11(24-16(19)23)8-10-12(17-3)18-13-9(2)6-5-7-20(13)14(10)21/h5-8,17H,4H2,1-3H3

InChI Key

RMBGCASHOYVPKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03142124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.499

Distribution Coefficient, logD

1.499

Water Solubility, LogSw

-1.95

Polar Surface Area

50.624

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 4428-0207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4428-0207?
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What is the minimum amount of 4428-0207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4428-0207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4428-0207
  • 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 4428-0207 available by request