8018-2873 Screening compound: ethyl 5-(2H-1,3-benzodioxol-5-yl)-7-methyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

8018-2873 Screening compound: ethyl 5-(2H-1,3-benzodioxol-5-yl)-7-methyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
8018-2873 Screening compound: ethyl 5-(2H-1,3-benzodioxol-5-yl)-7-methyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2873
ethyl 5-(2H-1,3-benzodioxol-5-yl)-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

8018-2873

Molecular Formula

C17H18N2O4S (C17 H18 N2 O4 S)

Compound Name

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

IUPAC name

ethyl 5-(2H-13-benzodioxol-5-yl)-7-methyl-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C1=C(C)N=C2SCCN2C1c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C17H18N2O4S/c1-3-21-16(20)14-10(2)18-17-19(6-7-24-17)15(14)11-4-5-12-13(8-11)23-9-22-12/h4-5,8,15H,3,6-7,9H2,1-2H3/t15-/m1/s1

InChI Key

ILAVKBDUNCEGAN-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD07657832

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

346.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.799

Distribution Coefficient, logD

2.663

Water Solubility, LogSw

-3.00

Polar Surface Area

50.404

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

8018-2873 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8018-2873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2873?
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What is the minimum amount of 8018-2873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2873
  • 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 8018-2873 available by request