8008-1074 Screening compound: ethyl (2Z)-2-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

8008-1074 Screening compound: ethyl (2Z)-2-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
8008-1074 Screening compound: ethyl (2Z)-2-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]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 8008-1074
ethyl (2Z)-2-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]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

8008-1074

Molecular Formula

C30H24N4O9S (C30 H24 N4 O9 S)

Compound Name

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

IUPAC name

ethyl (2Z)-2-{[4-(24-dinitrophenoxy)-3-methoxyphenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c1ccccc1)N1C2=O)=C(C)N=C1S/C2=C\c(cc1)cc(OC)c1Oc(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C30H24N4O9S/c1-4-42-29(36)26-17(2)31-30-32(27(26)19-8-6-5-7-9-19)28(35)25(44-30)15-18-10-12-23(24(14-18)41-3)43-22-13-11-20(33(37)38)16-21(22)34(39)40/h5-16,27H,4H2,1-3H3/t27-/m1/s1

InChI Key

KYFUZTFZFVBVRG-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD01593284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

616.61

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

5.577

Distribution Coefficient, logD

5.577

Water Solubility, LogSw

-5.49

Polar Surface Area

126.761

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 8008-1074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-1074?
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What is the minimum amount of 8008-1074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-1074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-1074
  • 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 8008-1074 available by request