4489-4539 Screening compound: ethyl (2Z)-2-[(5-bromo-2,4-dimethoxyphenyl)methylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

4489-4539 Screening compound: ethyl (2Z)-2-[(5-bromo-2,4-dimethoxyphenyl)methylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
4489-4539 Screening compound: ethyl (2Z)-2-[(5-bromo-2,4-dimethoxyphenyl)methylidene]-5-(4-chlorophenyl)-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 4489-4539
ethyl (2Z)-2-[(5-bromo-2,4-dimethoxyphenyl)methylidene]-5-(4-chlorophenyl)-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

4489-4539

Molecular Formula

C25H22BrClN2O5S (C25 H22 BrClN2 O5 S)

Compound Name

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

IUPAC name

ethyl (2Z)-2-[(5-bromo-24-dimethoxyphenyl)methylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc1)ccc1Cl)N1C2=O)=C(C)N=C1S/C2=C\c(c(OC)c1)cc(Br)c1OC)=O

InChI

InChI=1S/C25H22BrClN2O5S/c1-5-34-24(31)21-13(2)28-25-29(22(21)14-6-8-16(27)9-7-14)23(30)20(35-25)11-15-10-17(26)19(33-4)12-18(15)32-3/h6-12,22H,5H2,1-4H3/t22-/m0/s1

InChI Key

NLJUFTOUDOPNHN-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01470935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

577.88

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.863

Distribution Coefficient, logD

5.863

Water Solubility, LogSw

-6.18

Polar Surface Area

61.008

Acid Dissociation Constant (pKa)

26.89

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with 4489-4539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4489-4539?
Check Price and Availability of 4489-4539, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4489-4539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-4539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-4539
  • 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 4489-4539 available by request