3977-0897 Screening compound: ethyl (2Z)-2-[(5-bromofuran-2-yl)methylidene]-7-methyl-3-oxo-5-[4-(propan-2-yloxy)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

3977-0897 Screening compound: ethyl (2Z)-2-[(5-bromofuran-2-yl)methylidene]-7-methyl-3-oxo-5-[4-(propan-2-yloxy)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
3977-0897 Screening compound: ethyl (2Z)-2-[(5-bromofuran-2-yl)methylidene]-7-methyl-3-oxo-5-[4-(propan-2-yloxy)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3977-0897
ethyl (2Z)-2-[(5-bromofuran-2-yl)methylidene]-7-methyl-3-oxo-5-[4-(propan-2-yloxy)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

3977-0897

Molecular Formula

C24H23BrN2O5S (C24 H23 BrN2 O5 S)

Compound Name

ethyl (2Z)-2-[(5-bromofuran-2-yl)methylidene]-7-methyl-3-oxo-5-[4-(propan-2-yloxy)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2Z)-2-[(5-bromofuran-2-yl)methylidene]-7-methyl-3-oxo-5-[4-(propan-2-yloxy)phenyl]-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc1)ccc1OC(C)C)N1C2=O)=C(C)N=C1S/C2=C\c(o1)ccc1Br)=O

InChI

InChI=1S/C24H23BrN2O5S/c1-5-30-23(29)20-14(4)26-24-27(21(20)15-6-8-16(9-7-15)31-13(2)3)22(28)18(33-24)12-17-10-11-19(25)32-17/h6-13,21H,5H2,1-4H3/t21-/m0/s1

InChI Key

CNJTZSWYMNELAT-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02632142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.43

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

5.306

Distribution Coefficient, logD

5.306

Water Solubility, LogSw

-5.25

Polar Surface Area

60.646

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with 3977-0897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3977-0897?
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What is the minimum amount of 3977-0897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3977-0897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3977-0897
  • 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 3977-0897 available by request