4578-1092 Screening compound: (5Z)-3-(butan-2-yl)-5-{[7-methyl-4-oxo-2-(propylamino)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

4578-1092 Screening compound: (5Z)-3-(butan-2-yl)-5-{[7-methyl-4-oxo-2-(propylamino)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
4578-1092 Screening compound: (5Z)-3-(butan-2-yl)-5-{[7-methyl-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 4578-1092
(5Z)-3-(butan-2-yl)-5-{[7-methyl-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

4578-1092

Molecular Formula

C20H24N4O2S2 (C20 H24 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCNC(N=C1N2C=C(C)C=C1)=C(/C=C(/C(N1C(C)CC)=O)\SC1=S)C2=O

InChI

InChI=1S/C20H24N4O2S2/c1-5-9-21-17-14(18(25)23-11-12(3)7-8-16(23)22-17)10-15-19(26)24(13(4)6-2)20(27)28-15/h7-8,10-11,13,21H,5-6,9H2,1-4H3/t13-/m0/s1

InChI Key

RAAOZLXXUQGQLT-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD04446616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.57

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

3.310

Distribution Coefficient, logD

3.310

Water Solubility, LogSw

-3.48

Polar Surface Area

51.394

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 4578-1092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4578-1092?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4578-1092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4578-1092
  • 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 4578-1092 available by request