Y070-4450 Screening compound: 2-[(5Z)-5-{[2-(dipropylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Y070-4450 Screening compound: 2-[(5Z)-5-{[2-(dipropylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Y070-4450 Screening compound: 2-[(5Z)-5-{[2-(dipropylamino)-9-methyl-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 Y070-4450
2-[(5Z)-5-{[2-(dipropylamino)-9-methyl-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

Y070-4450

Molecular Formula

C21H24N4O4S2 (C21 H24 N4 O4 S2)

Compound Name

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

SMILES

CCCN(CCC)C(N=C1N2C=CC=C1C)=C(/C=C(/C(N1CC(O)=O)=O)\SC1=S)C2=O

InChI

InChI=1S/C21H24N4O4S2/c1-4-8-23(9-5-2)18-14(19(28)24-10-6-7-13(3)17(24)22-18)11-15-20(29)25(12-16(26)27)21(30)31-15/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,26,27)

InChI Key

MCUGPGDQZWWREZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05693250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.910

Distribution Coefficient, logD

-1.209

Water Solubility, LogSw

-2.01

Polar Surface Area

72.703

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with Y070-4450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-4450?
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What is the minimum amount of Y070-4450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-4450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-4450
  • 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 Y070-4450 available by request