3718-0059 Screening compound: ethyl 2-amino-4-(4-methoxyphenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

3718-0059 Screening compound: ethyl 2-amino-4-(4-methoxyphenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
3718-0059 Screening compound: ethyl 2-amino-4-(4-methoxyphenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3718-0059
ethyl 2-amino-4-(4-methoxyphenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-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

3718-0059

Molecular Formula

C25H25NO5 (C25 H25 NO5)

Compound Name

ethyl 2-amino-4-(4-methoxyphenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

IUPAC name

ethyl 2-amino-4-(4-methoxyphenyl)-5-oxo-7-phenyl-5678-tetrahydro-4H-chromene-3-carboxylate

SMILES

CCOC(C(C1c(cc2)ccc2OC)=C(N)OC(CC(C2)c3ccccc3)=C1C2=O)=O

InChI

InChI=1S/C25H25NO5/c1-3-30-25(28)23-21(16-9-11-18(29-2)12-10-16)22-19(27)13-17(14-20(22)31-24(23)26)15-7-5-4-6-8-15/h4-12,17,21H,3,13-14,26H2,1-2H3

InChI Key

YSOBLRBOCVEAFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14708670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.075

Distribution Coefficient, logD

4.075

Water Solubility, LogSw

-4.39

Polar Surface Area

70.572

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with 3718-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3718-0059?
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What is the minimum amount of 3718-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3718-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3718-0059
  • 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 3718-0059 available by request