5648-1307 Screening compound: ethyl (5Z)-5-{[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]methylidene}-2-[(4-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate

5648-1307 Screening compound: ethyl (5Z)-5-{[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]methylidene}-2-[(4-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
5648-1307 Screening compound: ethyl (5Z)-5-{[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]methylidene}-2-[(4-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5648-1307
ethyl (5Z)-5-{[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]methylidene}-2-[(4-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-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

5648-1307

Molecular Formula

C25H25NO8S (C25 H25 NO8 S)

Compound Name

ethyl (5Z)-5-{[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]methylidene}-2-[(4-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate

IUPAC name

ethyl (5Z)-5-{[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]methylidene}-2-[(4-methoxyphenyl)amino]-4-oxo-45-dihydrothiophene-3-carboxylate

SMILES

CCOC(C(C1=O)=C(Nc(cc2)ccc2OC)S/C1=C\c(cc1)cc(OC)c1OCC(OC)=O)=O

InChI

InChI=1S/C25H25NO8S/c1-5-33-25(29)22-23(28)20(35-24(22)26-16-7-9-17(30-2)10-8-16)13-15-6-11-18(19(12-15)31-3)34-14-21(27)32-4/h6-13,26H,5,14H2,1-4H3

InChI Key

ZUAKZIHSRIHSOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02800303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.939

Distribution Coefficient, logD

3.915

Water Solubility, LogSw

-4.05

Polar Surface Area

85.456

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with 5648-1307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5648-1307?
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What is the minimum amount of 5648-1307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5648-1307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5648-1307
  • 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 5648-1307 available by request