8008-7828 Screening compound: ethyl (2E)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

8008-7828 Screening compound: ethyl (2E)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
8008-7828 Screening compound: ethyl (2E)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-(2,5-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 8008-7828
ethyl (2E)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-(2,5-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

8008-7828

Molecular Formula

C26H25BrN2O7S (C26 H25 BrN2 O7 S)

Compound Name

ethyl (2E)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2E)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-(25-dimethoxyphenyl)-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc(cc1)OC)c1OC)N1C2=O)=C(C)N=C1S/C2=C/c(cc1OC)cc(Br)c1O)=O

InChI

InChI=1S/C26H25BrN2O7S/c1-6-36-25(32)21-13(2)28-26-29(22(21)16-12-15(33-3)7-8-18(16)34-4)24(31)20(37-26)11-14-9-17(27)23(30)19(10-14)35-5/h7-12,22,30H,6H2,1-5H3/t22-/m0/s1

InChI Key

SZHZTEUGEGBSJR-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01459947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

589.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.623

Distribution Coefficient, logD

4.546

Water Solubility, LogSw

-4.44

Polar Surface Area

84.031

Acid Dissociation Constant (pKa)

8.11

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

8008-7828 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8008-7828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-7828?
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What is the minimum amount of 8008-7828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-7828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-7828
  • 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 8008-7828 available by request