Y070-0909 Screening compound: prop-2-en-1-yl 8-methyl-4-oxo-6-(thiophen-2-yl)-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

Y070-0909 Screening compound: prop-2-en-1-yl 8-methyl-4-oxo-6-(thiophen-2-yl)-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Y070-0909 Screening compound: prop-2-en-1-yl 8-methyl-4-oxo-6-(thiophen-2-yl)-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-0909
prop-2-en-1-yl 8-methyl-4-oxo-6-(thiophen-2-yl)-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

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

Y070-0909

Molecular Formula

C16H16N2O3S2 (C16 H16 N2 O3 S2)

Compound Name

prop-2-en-1-yl 8-methyl-4-oxo-6-(thiophen-2-yl)-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

IUPAC name

prop-2-en-1-yl 8-methyl-4-oxo-6-(thiophen-2-yl)-2H3H4H6H-pyrimido[21-b][13]thiazine-7-carboxylate

SMILES

CC(N=C(N1C2c3cccs3)SCCC1=O)=C2C(OCC=C)=O

InChI

InChI=1S/C16H16N2O3S2/c1-3-7-21-15(20)13-10(2)17-16-18(12(19)6-9-23-16)14(13)11-5-4-8-22-11/h3-5,8,14H,1,6-7,9H2,2H3/t14-/m1/s1

InChI Key

BHVBNDGKICISCK-CQSZACIVSA-N

MDL Number (MFCD)

MFCD03212380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.193

Distribution Coefficient, logD

1.373

Water Solubility, LogSw

-2.43

Polar Surface Area

47.243

Acid Dissociation Constant (pKa)

22.13

Base Dissociation Constant (pKb)

8.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

Y070-0909 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y070-0909 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-0909?
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What is the minimum amount of Y070-0909 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-0909
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-0909
  • 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 Y070-0909 available by request