4489-4171 Screening compound: ethyl (2Z)-5-(3-bromo-4-methoxyphenyl)-7-methyl-3-oxo-2-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

4489-4171 Screening compound: ethyl (2Z)-5-(3-bromo-4-methoxyphenyl)-7-methyl-3-oxo-2-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
4489-4171 Screening compound: ethyl (2Z)-5-(3-bromo-4-methoxyphenyl)-7-methyl-3-oxo-2-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4489-4171
ethyl (2Z)-5-(3-bromo-4-methoxyphenyl)-7-methyl-3-oxo-2-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-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

4489-4171

Molecular Formula

C29H22BrF3N2O5S (C29 H22 BrF3 N2 O5 S)

Compound Name

ethyl (2Z)-5-(3-bromo-4-methoxyphenyl)-7-methyl-3-oxo-2-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2Z)-5-(3-bromo-4-methoxyphenyl)-7-methyl-3-oxo-2-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc1)cc(Br)c1OC)N1C2=O)=C(C)N=C1S/C2=C\c1ccc(-c2cc(C(F)(F)F)ccc2)o1)=O

InChI

InChI=1S/C29H22BrF3N2O5S/c1-4-39-27(37)24-15(2)34-28-35(25(24)17-8-10-22(38-3)20(30)13-17)26(36)23(41-28)14-19-9-11-21(40-19)16-6-5-7-18(12-16)29(31,32)33/h5-14,25H,4H2,1-3H3/t25-/m0/s1

InChI Key

OPEKQFNRRSQBIH-VWLOTQADSA-N

MDL Number (MFCD)

MFCD02071353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

647.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.923

Distribution Coefficient, logD

6.923

Water Solubility, LogSw

-5.87

Polar Surface Area

60.948

Acid Dissociation Constant (pKa)

26.96

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

References: we are preparing a list of scientific research reports with 4489-4171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4489-4171?
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What is the minimum amount of 4489-4171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-4171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-4171
  • 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 4489-4171 available by request