4489-4660 Screening compound: ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-2-{[5-(5-chloro-2-methylphenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

4489-4660 Screening compound: ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-2-{[5-(5-chloro-2-methylphenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
4489-4660 Screening compound: ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-2-{[5-(5-chloro-2-methylphenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4489-4660
ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-2-{[5-(5-chloro-2-methylphenyl)furan-2-yl]methylidene}-7-methyl-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

4489-4660

Molecular Formula

C29H23ClN2O6S (C29 H23 ClN2 O6 S)

Compound Name

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

IUPAC name

ethyl (2Z)-5-(2H-13-benzodioxol-5-yl)-2-{[5-(5-chloro-2-methylphenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc1)cc2c1OCO2)N1C2=O)=C(C)N=C1S/C2=C\c1ccc(-c2c(C)ccc(Cl)c2)o1)=O

InChI

InChI=1S/C29H23ClN2O6S/c1-4-35-28(34)25-16(3)31-29-32(26(25)17-6-9-22-23(11-17)37-14-36-22)27(33)24(39-29)13-19-8-10-21(38-19)20-12-18(30)7-5-15(20)2/h5-13,26H,4,14H2,1-3H3/t26-/m0/s1

InChI Key

GVUYZHHGFZOWMO-SANMLTNESA-N

MDL Number (MFCD)

MFCD01593349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

563.03

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.753

Distribution Coefficient, logD

6.753

Water Solubility, LogSw

-6.33

Polar Surface Area

70.433

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

References: we are preparing a list of scientific research reports with 4489-4660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4489-4660?
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What is the minimum amount of 4489-4660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-4660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-4660
  • 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 4489-4660 available by request