Y070-1816 Screening compound: methyl 5-(2,4-dichlorophenyl)-2-ethyl-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Y070-1816 Screening compound: methyl 5-(2,4-dichlorophenyl)-2-ethyl-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Y070-1816 Screening compound: methyl 5-(2,4-dichlorophenyl)-2-ethyl-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-1816
methyl 5-(2,4-dichlorophenyl)-2-ethyl-7-methyl-3-oxo-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

Y070-1816

Molecular Formula

C17H16Cl2N2O3S (C17 H16 Cl2 N2 O3 S)

Compound Name

methyl 5-(2,4-dichlorophenyl)-2-ethyl-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

methyl 5-(24-dichlorophenyl)-2-ethyl-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCC(C(N1C2c(ccc(Cl)c3)c3Cl)=O)SC1=NC(C)=C2C(OC)=O

InChI

InChI=1S/C17H16Cl2N2O3S/c1-4-12-15(22)21-14(10-6-5-9(18)7-11(10)19)13(16(23)24-3)8(2)20-17(21)25-12/h5-7,12,14H,4H2,1-3H3

InChI Key

IRZNQEOPNGBRNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03686410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.3

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

4.339

Distribution Coefficient, logD

4.339

Water Solubility, LogSw

-4.47

Polar Surface Area

46.439

Acid Dissociation Constant (pKa)

19.86

Base Dissociation Constant (pKb)

2.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.30

Y070-1816 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y070-1816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-1816?
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What is the minimum amount of Y070-1816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-1816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-1816
  • 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 Y070-1816 available by request