8020-1909 Screening compound: ethyl 5-(2,4-dimethylphenyl)-7-methyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

8020-1909 Screening compound: ethyl 5-(2,4-dimethylphenyl)-7-methyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
8020-1909 Screening compound: ethyl 5-(2,4-dimethylphenyl)-7-methyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1909
ethyl 5-(2,4-dimethylphenyl)-7-methyl-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

8020-1909

Molecular Formula

C18H22N2O2S (C18 H22 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C1=C(C)N=C2SCCN2C1c1c(C)cc(C)cc1)=O

InChI

InChI=1S/C18H22N2O2S/c1-5-22-17(21)15-13(4)19-18-20(8-9-23-18)16(15)14-7-6-11(2)10-12(14)3/h6-7,10,16H,5,8-9H2,1-4H3/t16-/m1/s1

InChI Key

NJHYIALPURXBBR-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD12035416

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

330.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.917

Distribution Coefficient, logD

3.486

Water Solubility, LogSw

-3.78

Polar Surface Area

33.288

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

7.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

8020-1909 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-1909 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1909?
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What is the minimum amount of 8020-1909 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1909
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1909
  • 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 8020-1909 available by request