Y070-3639 Screening compound: 2-[(5Z)-5-{[2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Y070-3639 Screening compound: 2-[(5Z)-5-{[2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Y070-3639 Screening compound: 2-[(5Z)-5-{[2-(3-methylphenoxy)-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 Y070-3639
2-[(5Z)-5-{[2-(3-methylphenoxy)-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

Y070-3639

Molecular Formula

C21H15N3O5S2 (C21 H15 N3 O5 S2)

Compound Name

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

SMILES

Cc1cccc(OC(N=C2N3C=CC=C2)=C(/C=C(/C(N2CC(O)=O)=O)\SC2=S)C3=O)c1

InChI

InChI=1S/C21H15N3O5S2/c1-12-5-4-6-13(9-12)29-18-14(19(27)23-8-3-2-7-16(23)22-18)10-15-20(28)24(11-17(25)26)21(30)31-15/h2-10H,11H2,1H3,(H,25,26)

InChI Key

HEANAZWSUBZIMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04176691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.5

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

1.832

Distribution Coefficient, logD

-1.287

Water Solubility, LogSw

-2.40

Polar Surface Area

77.602

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with Y070-3639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-3639?
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What is the minimum amount of Y070-3639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-3639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-3639
  • 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 Y070-3639 available by request