8009-0656 Screening compound: ethyl (2Z)-5-(2-bromo-4,5-dimethoxyphenyl)-2-({4-[(2-chlorophenyl)methoxy]phenyl}methylidene)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

8009-0656 Screening compound: ethyl (2Z)-5-(2-bromo-4,5-dimethoxyphenyl)-2-({4-[(2-chlorophenyl)methoxy]phenyl}methylidene)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
8009-0656 Screening compound: ethyl (2Z)-5-(2-bromo-4,5-dimethoxyphenyl)-2-({4-[(2-chlorophenyl)methoxy]phenyl}methylidene)-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 8009-0656
ethyl (2Z)-5-(2-bromo-4,5-dimethoxyphenyl)-2-({4-[(2-chlorophenyl)methoxy]phenyl}methylidene)-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

8009-0656

Molecular Formula

C32H28BrClN2O6S (C32 H28 BrClN2 O6 S)

Compound Name

ethyl (2Z)-5-(2-bromo-4,5-dimethoxyphenyl)-2-({4-[(2-chlorophenyl)methoxy]phenyl}methylidene)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2Z)-5-(2-bromo-45-dimethoxyphenyl)-2-({4-[(2-chlorophenyl)methoxy]phenyl}methylidene)-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc(c(OC)c1)OC)c1Br)N1C2=O)=C(C)N=C1S/C2=C\c(cc1)ccc1OCc(cccc1)c1Cl)=O

InChI

InChI=1S/C32H28BrClN2O6S/c1-5-41-31(38)28-18(2)35-32-36(29(28)22-15-25(39-3)26(40-4)16-23(22)33)30(37)27(43-32)14-19-10-12-21(13-11-19)42-17-20-8-6-7-9-24(20)34/h6-16,29H,5,17H2,1-4H3/t29-/m0/s1

InChI Key

WTOPCKZWHKHYON-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD01460991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

684.01

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.441

Distribution Coefficient, logD

6.441

Water Solubility, LogSw

-6.21

Polar Surface Area

68.236

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.90

8009-0656 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-0656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-0656?
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What is the minimum amount of 8009-0656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0656
  • 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 8009-0656 available by request