2388-1016 Screening compound: ethyl (2Z)-2-{[4-(acetyloxy)phenyl]methylidene}-7-methyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2388-1016 Screening compound: ethyl (2Z)-2-{[4-(acetyloxy)phenyl]methylidene}-7-methyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2388-1016 Screening compound: ethyl (2Z)-2-{[4-(acetyloxy)phenyl]methylidene}-7-methyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2388-1016
ethyl (2Z)-2-{[4-(acetyloxy)phenyl]methylidene}-7-methyl-3-oxo-5-(thiophen-2-yl)-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

2388-1016

Molecular Formula

C23H20N2O5S2 (C23 H20 N2 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(c1cccs1)N1C2=O)=C(C)N=C1S/C2=C\c(cc1)ccc1OC(C)=O)=O

InChI

InChI=1S/C23H20N2O5S2/c1-4-29-22(28)19-13(2)24-23-25(20(19)17-6-5-11-31-17)21(27)18(32-23)12-15-7-9-16(10-8-15)30-14(3)26/h5-12,20H,4H2,1-3H3/t20-/m1/s1

InChI Key

RFYQCUDALYPNGI-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD01072460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.586

Distribution Coefficient, logD

3.586

Water Solubility, LogSw

-3.65

Polar Surface Area

67.517

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with 2388-1016 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2388-1016
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Delivery formats for 2388-1016
  • 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 2388-1016 available by request