4767-1320 Screening compound: ethyl (5Z)-2-[(4-ethoxyphenyl)amino]-5-{[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate

4767-1320 Screening compound: ethyl (5Z)-2-[(4-ethoxyphenyl)amino]-5-{[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
4767-1320 Screening compound: ethyl (5Z)-2-[(4-ethoxyphenyl)amino]-5-{[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4767-1320
ethyl (5Z)-2-[(4-ethoxyphenyl)amino]-5-{[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene}-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

4767-1320

Molecular Formula

C25H25NO7S (C25 H25 NO7 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C1=O)=C(Nc(cc2)ccc2OCC)S/C1=C\c(cc1)ccc1OCC(OC)=O)=O

InChI

InChI=1S/C25H25NO7S/c1-4-31-18-12-8-17(9-13-18)26-24-22(25(29)32-5-2)23(28)20(34-24)14-16-6-10-19(11-7-16)33-15-21(27)30-3/h6-14,26H,4-5,15H2,1-3H3

InChI Key

FIOJTWACLKXCKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02773941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.601

Distribution Coefficient, logD

4.577

Water Solubility, LogSw

-4.33

Polar Surface Area

77.319

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 4767-1320 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4767-1320?
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What is the minimum amount of 4767-1320 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4767-1320
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4767-1320
  • 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 4767-1320 available by request