4578-0048 Screening compound: 6-[(5Z)-5-({2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

4578-0048 Screening compound: 6-[(5Z)-5-({2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
4578-0048 Screening compound: 6-[(5Z)-5-({2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4578-0048
6-[(5Z)-5-({2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic 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

4578-0048

Molecular Formula

C24H29N5O5S2 (C24 H29 N5 O5 S2)

Compound Name

6-[(5Z)-5-({2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

IUPAC name

6-[(5Z)-5-({2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]hexanoic acid

SMILES

OCCN(CC1)CCN1C(N=C1N2C=CC=C1)=C(/C=C(/C(N1CCCCCC(O)=O)=O)\SC1=S)C2=O

InChI

InChI=1S/C24H29N5O5S2/c30-15-14-26-10-12-27(13-11-26)21-17(22(33)28-8-5-3-6-19(28)25-21)16-18-23(34)29(24(35)36-18)9-4-1-2-7-20(31)32/h3,5-6,8,16,30H,1-2,4,7,9-15H2,(H,31,32)

InChI Key

UYTDRPMHIGAZTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03496083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.66

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.997

Distribution Coefficient, logD

-1.831

Water Solubility, LogSw

-1.74

Polar Surface Area

94.316

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

References: we are preparing a list of scientific research reports with 4578-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4578-0048?
Check Price and Availability of 4578-0048, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4578-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4578-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4578-0048
  • 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 4578-0048 available by request