2031-0051 Screening compound: ethyl (2Z)-2-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-5-(4-chlorophenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2031-0051 Screening compound: ethyl (2Z)-2-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-5-(4-chlorophenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2031-0051 Screening compound: ethyl (2Z)-2-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-5-(4-chlorophenyl)-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 2031-0051
ethyl (2Z)-2-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-5-(4-chlorophenyl)-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

2031-0051

Molecular Formula

C31H27ClN2O5S (C31 H27 ClN2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(c(cc1)ccc1Cl)N1C2=O)=C(C)N=C1S/C2=C\c(cc1)cc(OC)c1OCc1ccccc1)=O

InChI

InChI=1S/C31H27ClN2O5S/c1-4-38-30(36)27-19(2)33-31-34(28(27)22-11-13-23(32)14-12-22)29(35)26(40-31)17-21-10-15-24(25(16-21)37-3)39-18-20-8-6-5-7-9-20/h5-17,28H,4,18H2,1-3H3/t28-/m0/s1

InChI Key

ACFYCYHCLHJMNJ-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD01470914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

575.08

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

6.216

Distribution Coefficient, logD

6.216

Water Solubility, LogSw

-6.23

Polar Surface Area

60.692

Acid Dissociation Constant (pKa)

26.89

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 2031-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2031-0051?
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What is the minimum amount of 2031-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2031-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2031-0051
  • 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 2031-0051 available by request