2028-0062 Screening compound: ethyl (2Z)-2-{[5-(4-bromophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2028-0062 Screening compound: ethyl (2Z)-2-{[5-(4-bromophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2028-0062 Screening compound: ethyl (2Z)-2-{[5-(4-bromophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2028-0062
ethyl (2Z)-2-{[5-(4-bromophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-5-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

2028-0062

Molecular Formula

C27H21BrN2O4S (C27 H21 BrN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(c1ccccc1)N1C2=O)=C(C)N=C1S/C2=C\c1ccc(-c(cc2)ccc2Br)o1)=O

InChI

InChI=1S/C27H21BrN2O4S/c1-3-33-26(32)23-16(2)29-27-30(24(23)18-7-5-4-6-8-18)25(31)22(35-27)15-20-13-14-21(34-20)17-9-11-19(28)12-10-17/h4-15,24H,3H2,1-2H3/t24-/m0/s1

InChI Key

KTIHJPIKGRSLAG-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD01061674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.634

Distribution Coefficient, logD

6.634

Water Solubility, LogSw

-5.83

Polar Surface Area

53.317

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with 2028-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2028-0062?
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What is the minimum amount of 2028-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2028-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2028-0062
  • 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 2028-0062 available by request