2033-0088 Screening compound: ethyl (2Z)-2-[2-(5-chloro-2-hydroxyphenyl)ethylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2033-0088 Screening compound: ethyl (2Z)-2-[2-(5-chloro-2-hydroxyphenyl)ethylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2033-0088 Screening compound: ethyl (2Z)-2-[2-(5-chloro-2-hydroxyphenyl)ethylidene]-5-(3,4-dimethoxyphenyl)-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 2033-0088
ethyl (2Z)-2-[2-(5-chloro-2-hydroxyphenyl)ethylidene]-5-(3,4-dimethoxyphenyl)-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

2033-0088

Molecular Formula

C26H25ClN2O6S (C26 H25 ClN2 O6 S)

Compound Name

ethyl (2Z)-2-[2-(5-chloro-2-hydroxyphenyl)ethylidene]-5-(3,4-dimethoxyphenyl)-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-(34-dimethoxyphenyl)-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc1)cc(OC)c1OC)N1C2=O)=C(C)N=C1S/C2=C\Cc(cc(cc1)Cl)c1O)=O

InChI

InChI=1S/C26H25ClN2O6S/c1-5-35-25(32)22-14(2)28-26-29(23(22)16-6-10-19(33-3)20(13-16)34-4)24(31)21(36-26)11-7-15-12-17(27)8-9-18(15)30/h6,8-13,23,30H,5,7H2,1-4H3/t23-/m0/s1

InChI Key

DEWABMFEBPONQE-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD01242068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.01

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.793

Distribution Coefficient, logD

4.792

Water Solubility, LogSw

-4.84

Polar Surface Area

77.556

Acid Dissociation Constant (pKa)

10.02

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

2033-0088 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 2033-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2033-0088?
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What is the minimum amount of 2033-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2033-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2033-0088
  • 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 2033-0088 available by request