Y070-2086 Screening compound: propan-2-yl 2,7-dimethyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Y070-2086 Screening compound: propan-2-yl 2,7-dimethyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Y070-2086 Screening compound: propan-2-yl 2,7-dimethyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-2086
propan-2-yl 2,7-dimethyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-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

Y070-2086

Molecular Formula

C16H18N2O3S2 (C16 H18 N2 O3 S2)

Compound Name

propan-2-yl 2,7-dimethyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

propan-2-yl 27-dimethyl-3-oxo-5-(thiophen-2-yl)-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(C)OC(C(C(c1cccs1)N12)=C(C)N=C1SC(C)C2=O)=O

InChI

InChI=1S/C16H18N2O3S2/c1-8(2)21-15(20)12-9(3)17-16-18(14(19)10(4)23-16)13(12)11-6-5-7-22-11/h5-8,10,13H,1-4H3

InChI Key

KISIHXIKDLGAMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03689412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.906

Distribution Coefficient, logD

2.904

Water Solubility, LogSw

-3.06

Polar Surface Area

46.716

Acid Dissociation Constant (pKa)

19.50

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.80

Y070-2086 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 Y070-2086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-2086?
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What is the minimum amount of Y070-2086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-2086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-2086
  • 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 Y070-2086 available by request