4215-0291 Screening compound: methyl (2Z)-2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-7-methyl-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

4215-0291 Screening compound: methyl (2Z)-2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-7-methyl-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
4215-0291 Screening compound: methyl (2Z)-2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-7-methyl-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4215-0291
methyl (2Z)-2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-7-methyl-3-oxo-5-phenyl-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

4215-0291

Molecular Formula

C24H21N3O7S (C24 H21 N3 O7 S)

Compound Name

methyl (2Z)-2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-7-methyl-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

methyl (2Z)-2-[(45-dimethoxy-2-nitrophenyl)methylidene]-7-methyl-3-oxo-5-phenyl-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(N=C(N(C1c2ccccc2)C2=O)S/C2=C\c(cc(c(OC)c2)OC)c2[N+]([O-])=O)=C1C(OC)=O

InChI

InChI=1S/C24H21N3O7S/c1-13-20(23(29)34-4)21(14-8-6-5-7-9-14)26-22(28)19(35-24(26)25-13)11-15-10-17(32-2)18(33-3)12-16(15)27(30)31/h5-12,21H,1-4H3/t21-/m1/s1

InChI Key

VYFYOZNAZGEHIH-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD02214038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.51

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.483

Distribution Coefficient, logD

3.483

Water Solubility, LogSw

-3.93

Polar Surface Area

94.509

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with 4215-0291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4215-0291?
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What is the minimum amount of 4215-0291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4215-0291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4215-0291
  • 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 4215-0291 available by request