2031-0092 Screening compound: ethyl (2Z)-2-({3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}methylidene)-5-(4-chlorophenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2031-0092 Screening compound: ethyl (2Z)-2-({3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}methylidene)-5-(4-chlorophenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2031-0092 Screening compound: ethyl (2Z)-2-({3-bromo-4-[(2-chlorophenyl)methoxy]-5-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 2031-0092
ethyl (2Z)-2-({3-bromo-4-[(2-chlorophenyl)methoxy]-5-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

2031-0092

Molecular Formula

C31H25BrCl2N2O5S (C31 H25 BrCl2 N2 O5 S)

Compound Name

ethyl (2Z)-2-({3-bromo-4-[(2-chlorophenyl)methoxy]-5-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-({3-bromo-4-[(2-chlorophenyl)methoxy]-5-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(cc1OC)cc(Br)c1OCc(cccc1)c1Cl)=O

InChI

InChI=1S/C31H25BrCl2N2O5S/c1-4-40-30(38)26-17(2)35-31-36(27(26)19-9-11-21(33)12-10-19)29(37)25(42-31)15-18-13-22(32)28(24(14-18)39-3)41-16-20-7-5-6-8-23(20)34/h5-15,27H,4,16H2,1-3H3/t27-/m0/s1

InChI Key

ZCLYJEBECRREFQ-MHZLTWQESA-N

MDL Number (MFCD)

MFCD01470888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

688.43

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

7.647

Distribution Coefficient, logD

7.647

Water Solubility, LogSw

-6.47

Polar Surface Area

60.779

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 2031-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2031-0092?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2031-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2031-0092
  • 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 2031-0092 available by request