1933-0042 Screening compound: ethyl (2Z)-2-{[4-(benzyloxy)phenyl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

1933-0042 Screening compound: ethyl (2Z)-2-{[4-(benzyloxy)phenyl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
1933-0042 Screening compound: ethyl (2Z)-2-{[4-(benzyloxy)phenyl]methylidene}-5-(4-methoxyphenyl)-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 1933-0042
ethyl (2Z)-2-{[4-(benzyloxy)phenyl]methylidene}-5-(4-methoxyphenyl)-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

1933-0042

Molecular Formula

C31H28N2O5S (C31 H28 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(c(cc1)ccc1OC)N1C2=O)=C(C)N=C1S/C2=C\c(cc1)ccc1OCc1ccccc1)=O

InChI

InChI=1S/C31H28N2O5S/c1-4-37-30(35)27-20(2)32-31-33(28(27)23-12-16-24(36-3)17-13-23)29(34)26(39-31)18-21-10-14-25(15-11-21)38-19-22-8-6-5-7-9-22/h5-18,28H,4,19H2,1-3H3/t28-/m1/s1

InChI Key

CKHXFLLWASOIBH-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD01532053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.879

Distribution Coefficient, logD

5.879

Water Solubility, LogSw

-5.57

Polar Surface Area

60.519

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.40

References: we are preparing a list of scientific research reports with 1933-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1933-0042?
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What is the minimum amount of 1933-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1933-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1933-0042
  • 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 1933-0042 available by request