4490-2439 Screening compound: ethyl (2E)-7-methyl-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-5-[4-(methylsulfanyl)phenyl]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

4490-2439 Screening compound: ethyl (2E)-7-methyl-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-5-[4-(methylsulfanyl)phenyl]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
4490-2439 Screening compound: ethyl (2E)-7-methyl-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-5-[4-(methylsulfanyl)phenyl]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4490-2439
ethyl (2E)-7-methyl-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-5-[4-(methylsulfanyl)phenyl]-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

4490-2439

Molecular Formula

C29H31N5O5S2 (C29 H31 N5 O5 S2)

Compound Name

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

IUPAC name

ethyl (2E)-7-methyl-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-5-[4-(methylsulfanyl)phenyl]-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc1)ccc1SC)N1C2=O)=C(C)N=C1S/C2=C/c(cc(cc1)[N+]([O-])=O)c1N1CCN(C)CC1)=O

InChI

InChI=1S/C29H31N5O5S2/c1-5-39-28(36)25-18(2)30-29-33(26(25)19-6-9-22(40-4)10-7-19)27(35)24(41-29)17-20-16-21(34(37)38)8-11-23(20)32-14-12-31(3)13-15-32/h6-11,16-17,26H,5,12-15H2,1-4H3/t26-/m1/s1

InChI Key

OZYOCIYQLMGCRC-AREMUKBSSA-N

MDL Number (MFCD)

MFCD02632188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

593.73

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.176

Distribution Coefficient, logD

4.489

Water Solubility, LogSw

-5.17

Polar Surface Area

85.757

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

References: we are preparing a list of scientific research reports with 4490-2439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4490-2439?
Check Price and Availability of 4490-2439, 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 4490-2439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4490-2439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4490-2439
  • 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 4490-2439 available by request