4578-0491 Screening compound: 4-[(5Z)-5-{[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

4578-0491 Screening compound: 4-[(5Z)-5-{[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
4578-0491 Screening compound: 4-[(5Z)-5-{[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4578-0491
4-[(5Z)-5-{[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

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

4578-0491

Molecular Formula

C23H27N5O4S2 (C23 H27 N5 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC1)CCN1C(N=C1N2C=CC=C1C)=C(/C=C(/C(N1CCCC(O)=O)=O)\SC1=S)C2=O

InChI

InChI=1S/C23H27N5O4S2/c1-3-25-10-12-26(13-11-25)20-16(21(31)27-8-4-6-15(2)19(27)24-20)14-17-22(32)28(23(33)34-17)9-5-7-18(29)30/h4,6,8,14H,3,5,7,9-13H2,1-2H3,(H,29,30)

InChI Key

OFIZQGAOBHYMFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04441100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.63

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.061

Distribution Coefficient, logD

1.061

Water Solubility, LogSw

-1.65

Polar Surface Area

76.427

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

7.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

4578-0491 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 4578-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4578-0491?
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What is the minimum amount of 4578-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4578-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4578-0491
  • 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 4578-0491 available by request