4490-1856 Screening compound: ethyl (2E)-2-{[4-(benzyloxy)-3-methoxy-5-nitrophenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

4490-1856 Screening compound: ethyl (2E)-2-{[4-(benzyloxy)-3-methoxy-5-nitrophenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
4490-1856 Screening compound: ethyl (2E)-2-{[4-(benzyloxy)-3-methoxy-5-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 4490-1856
ethyl (2E)-2-{[4-(benzyloxy)-3-methoxy-5-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

4490-1856

Molecular Formula

C31H27N3O7S (C31 H27 N3 O7 S)

Compound Name

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

IUPAC name

ethyl (2E)-2-{[4-(benzyloxy)-3-methoxy-5-nitrophenyl]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[N+]([O-])=O)cc(OC)c1OCc1ccccc1)=O

InChI

InChI=1S/C31H27N3O7S/c1-4-40-30(36)26-19(2)32-31-33(27(26)22-13-9-6-10-14-22)29(35)25(42-31)17-21-15-23(34(37)38)28(24(16-21)39-3)41-18-20-11-7-5-8-12-20/h5-17,27H,4,18H2,1-3H3/t27-/m1/s1

InChI Key

NNKYXTATLRASCM-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD02630453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

585.64

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.772

Distribution Coefficient, logD

5.772

Water Solubility, LogSw

-5.50

Polar Surface Area

93.859

Acid Dissociation Constant (pKa)

27.35

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 4490-1856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4490-1856?
Check Price and Availability of 4490-1856, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4490-1856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4490-1856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4490-1856
  • 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 4490-1856 available by request