2029-0088 Screening compound: ethyl (2Z)-2-[2-(5-chloro-2-hydroxyphenyl)ethylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2029-0088 Screening compound: ethyl (2Z)-2-[2-(5-chloro-2-hydroxyphenyl)ethylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2029-0088 Screening compound: ethyl (2Z)-2-[2-(5-chloro-2-hydroxyphenyl)ethylidene]-5-(4-methoxyphenyl)-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 2029-0088
ethyl (2Z)-2-[2-(5-chloro-2-hydroxyphenyl)ethylidene]-5-(4-methoxyphenyl)-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

2029-0088

Molecular Formula

C25H23ClN2O5S (C25 H23 ClN2 O5 S)

Compound Name

ethyl (2Z)-2-[2-(5-chloro-2-hydroxyphenyl)ethylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2Z)-2-[2-(5-chloro-2-hydroxyphenyl)ethylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc1)ccc1OC)N1C2=O)=C(C)N=C1S/C2=C\Cc(cc(cc1)Cl)c1O)=O

InChI

InChI=1S/C25H23ClN2O5S/c1-4-33-24(31)21-14(2)27-25-28(22(21)15-5-9-18(32-3)10-6-15)23(30)20(34-25)12-7-16-13-17(26)8-11-19(16)29/h5-6,8-13,22,29H,4,7H2,1-3H3/t22-/m0/s1

InChI Key

PBLNSLQJJLNPGN-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01242086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.99

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.113

Distribution Coefficient, logD

5.112

Water Solubility, LogSw

-5.40

Polar Surface Area

69.839

Acid Dissociation Constant (pKa)

10.02

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

2029-0088 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2029-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2029-0088?
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What is the minimum amount of 2029-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2029-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2029-0088
  • 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 2029-0088 available by request