3215-1396 Screening compound: ethyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

3215-1396 Screening compound: ethyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
3215-1396 Screening compound: ethyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3215-1396
ethyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-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

3215-1396

Molecular Formula

C27H26N2O7S (C27 H26 N2 O7 S)

Compound Name

ethyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc1)cc(OC)c1OC(C)=O)N1C2=O)=C(C)N=C1S/C2=C/c(cccc1)c1OC)=O

InChI

InChI=1S/C27H26N2O7S/c1-6-35-26(32)23-15(2)28-27-29(24(23)18-11-12-20(36-16(3)30)21(13-18)34-5)25(31)22(37-27)14-17-9-7-8-10-19(17)33-4/h7-14,24H,6H2,1-5H3/t24-/m1/s1

InChI Key

IUFLOROVAODSEO-XMMPIXPASA-N

MDL Number (MFCD)

MFCD01162899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.58

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.291

Distribution Coefficient, logD

4.291

Water Solubility, LogSw

-4.51

Polar Surface Area

81.846

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with 3215-1396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3215-1396?
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What is the minimum amount of 3215-1396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3215-1396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3215-1396
  • 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 3215-1396 available by request