4489-6024 Screening compound: ethyl (2Z)-2-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-5-[4-(methylsulfanyl)phenyl]-3-oxo-7-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

4489-6024 Screening compound: ethyl (2Z)-2-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-5-[4-(methylsulfanyl)phenyl]-3-oxo-7-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
4489-6024 Screening compound: ethyl (2Z)-2-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-5-[4-(methylsulfanyl)phenyl]-3-oxo-7-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4489-6024
ethyl (2Z)-2-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-5-[4-(methylsulfanyl)phenyl]-3-oxo-7-phenyl-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

4489-6024

Molecular Formula

C33H24BrN3O6S2 (C33 H24 BrN3 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(c(cc1)ccc1SC)N1C2=O)=C(c3ccccc3)N=C1S/C2=C\c1ccc(-c(ccc([N+]([O-])=O)c2)c2Br)o1)=O

InChI

InChI=1S/C33H24BrN3O6S2/c1-3-42-32(39)28-29(19-7-5-4-6-8-19)35-33-36(30(28)20-9-13-23(44-2)14-10-20)31(38)27(45-33)18-22-12-16-26(43-22)24-15-11-21(37(40)41)17-25(24)34/h4-18,30H,3H2,1-2H3/t30-/m0/s1

InChI Key

DDONAZSYZANWSZ-PMERELPUSA-N

MDL Number (MFCD)

MFCD05038240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

702.61

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

8.917

Distribution Coefficient, logD

8.917

Water Solubility, LogSw

-5.74

Polar Surface Area

86.928

Acid Dissociation Constant (pKa)

26.59

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.10

References: we are preparing a list of scientific research reports with 4489-6024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4489-6024?
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What is the minimum amount of 4489-6024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-6024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-6024
  • 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 4489-6024 available by request