6187-0558 Screening compound: ethyl 2-ethyl-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

6187-0558 Screening compound: ethyl 2-ethyl-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
6187-0558 Screening compound: ethyl 2-ethyl-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-0558
ethyl 2-ethyl-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-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

6187-0558

Molecular Formula

C21H26N2O3S (C21 H26 N2 O3 S)

Compound Name

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

IUPAC name

ethyl 2-ethyl-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCC(C(N1C2c3ccc(C(C)C)cc3)=O)SC1=NC(C)=C2C(OCC)=O

InChI

InChI=1S/C21H26N2O3S/c1-6-16-19(24)23-18(15-10-8-14(9-11-15)12(3)4)17(20(25)26-7-2)13(5)22-21(23)27-16/h8-12,16,18H,6-7H2,1-5H3

InChI Key

DJHNHVYSDRPWIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04446257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.691

Distribution Coefficient, logD

4.691

Water Solubility, LogSw

-4.34

Polar Surface Area

46.019

Acid Dissociation Constant (pKa)

19.86

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.60

References: we are preparing a list of scientific research reports with 6187-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-0558?
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What is the minimum amount of 6187-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-0558
  • 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 6187-0558 available by request