Y070-4161 Screening compound: 2-[(5Z)-5-{[2-(4-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Y070-4161 Screening compound: 2-[(5Z)-5-{[2-(4-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Y070-4161 Screening compound: 2-[(5Z)-5-{[2-(4-fluorophenoxy)-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 Y070-4161
2-[(5Z)-5-{[2-(4-fluorophenoxy)-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

Y070-4161

Molecular Formula

C20H12FN3O5S2 (C20 H12 FN3 O5 S2)

Compound Name

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

SMILES

OC(CN(C(/C(/S1)=C/C(C(N(C=CC=C2)C2=N2)=O)=C2Oc(cc2)ccc2F)=O)C1=S)=O

InChI

InChI=1S/C20H12FN3O5S2/c21-11-4-6-12(7-5-11)29-17-13(18(27)23-8-2-1-3-15(23)22-17)9-14-19(28)24(10-16(25)26)20(30)31-14/h1-9H,10H2,(H,25,26)

InChI Key

MAPAYVUDVPENOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04175162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.46

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.455

Distribution Coefficient, logD

-1.664

Water Solubility, LogSw

-2.13

Polar Surface Area

77.602

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with Y070-4161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-4161?
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What is the minimum amount of Y070-4161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-4161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-4161
  • 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 Y070-4161 available by request