Y070-3221 Screening compound: 2-[(5Z)-5-{[2-(4-methoxyphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Y070-3221 Screening compound: 2-[(5Z)-5-{[2-(4-methoxyphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Y070-3221 Screening compound: 2-[(5Z)-5-{[2-(4-methoxyphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-3221
2-[(5Z)-5-{[2-(4-methoxyphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic 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

Y070-3221

Molecular Formula

C21H15N3O6S2 (C21 H15 N3 O6 S2)

Compound Name

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

IUPAC name

2-[(5Z)-5-{[2-(4-methoxyphenoxy)-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]acetic acid

SMILES

COc(cc1)ccc1OC(N=C1N2C=CC=C1)=C(/C=C(/C(N1CC(O)=O)=O)\SC1=S)C2=O

InChI

InChI=1S/C21H15N3O6S2/c1-29-12-5-7-13(8-6-12)30-18-14(19(27)23-9-3-2-4-16(23)22-18)10-15-20(28)24(11-17(25)26)21(31)32-15/h2-10H,11H2,1H3,(H,25,26)

InChI Key

JLZHTDDCYDADCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18076216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.5

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.409

Distribution Coefficient, logD

-1.710

Water Solubility, LogSw

-2.12

Polar Surface Area

85.145

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with Y070-3221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-3221?
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What is the minimum amount of Y070-3221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-3221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-3221
  • 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 Y070-3221 available by request