2031-0078 Screening compound: ethyl (2Z)-5-(4-chlorophenyl)-7-methyl-2-{[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene}-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2031-0078 Screening compound: ethyl (2Z)-5-(4-chlorophenyl)-7-methyl-2-{[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene}-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2031-0078 Screening compound: ethyl (2Z)-5-(4-chlorophenyl)-7-methyl-2-{[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene}-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2031-0078
ethyl (2Z)-5-(4-chlorophenyl)-7-methyl-2-{[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene}-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

2031-0078

Molecular Formula

C28H22ClN3O6S (C28 H22 ClN3 O6 S)

Compound Name

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

IUPAC name

ethyl (2Z)-5-(4-chlorophenyl)-7-methyl-2-{[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene}-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\c1ccc(-c(ccc(C)c2)c2[N+]([O-])=O)o1)=O

InChI

InChI=1S/C28H22ClN3O6S/c1-4-37-27(34)24-16(3)30-28-31(25(24)17-6-8-18(29)9-7-17)26(33)23(39-28)14-19-10-12-22(38-19)20-11-5-15(2)13-21(20)32(35)36/h5-14,25H,4H2,1-3H3/t25-/m0/s1

InChI Key

CTDROEJVRXENLT-VWLOTQADSA-N

MDL Number (MFCD)

MFCD01455606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.02

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.449

Distribution Coefficient, logD

6.449

Water Solubility, LogSw

-6.25

Polar Surface Area

86.398

Acid Dissociation Constant (pKa)

26.89

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with 2031-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2031-0078?
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What is the minimum amount of 2031-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2031-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2031-0078
  • 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 2031-0078 available by request