2033-0098 Screening compound: ethyl (2Z)-2-({3-[(4-chlorophenyl)methoxy]phenyl}methylidene)-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2033-0098 Screening compound: ethyl (2Z)-2-({3-[(4-chlorophenyl)methoxy]phenyl}methylidene)-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2033-0098 Screening compound: ethyl (2Z)-2-({3-[(4-chlorophenyl)methoxy]phenyl}methylidene)-5-(3,4-dimethoxyphenyl)-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 2033-0098
ethyl (2Z)-2-({3-[(4-chlorophenyl)methoxy]phenyl}methylidene)-5-(3,4-dimethoxyphenyl)-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

2033-0098

Molecular Formula

C32H29ClN2O6S (C32 H29 ClN2 O6 S)

Compound Name

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

IUPAC name

ethyl (2Z)-2-({3-[(4-chlorophenyl)methoxy]phenyl}methylidene)-5-(34-dimethoxyphenyl)-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc1)cc(OC)c1OC)N1C2=O)=C(C)N=C1S/C2=C\c1cccc(OCc(cc2)ccc2Cl)c1)=O

InChI

InChI=1S/C32H29ClN2O6S/c1-5-40-31(37)28-19(2)34-32-35(29(28)22-11-14-25(38-3)26(17-22)39-4)30(36)27(42-32)16-21-7-6-8-24(15-21)41-18-20-9-12-23(33)13-10-20/h6-17,29H,5,18H2,1-4H3/t29-/m0/s1

InChI Key

GRRAEZFSYREKRY-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD01592291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

605.11

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.129

Distribution Coefficient, logD

6.129

Water Solubility, LogSw

-6.31

Polar Surface Area

68.236

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.90

References: we are preparing a list of scientific research reports with 2033-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2033-0098?
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What is the minimum amount of 2033-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2033-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2033-0098
  • 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 2033-0098 available by request