2786-4527 Screening compound: 2-phenylethyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2786-4527 Screening compound: 2-phenylethyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2786-4527 Screening compound: 2-phenylethyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2786-4527
2-phenylethyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-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

2786-4527

Molecular Formula

C36H37NO7 (C36 H37 NO7)

Compound Name

2-phenylethyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-phenylethyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOc(cc(C1C(C(CC(C2)c(cc3)ccc3OC)=O)=C2NC(C)=C1C(OCCc1ccccc1)=O)cc1)c1OC(C)=O

InChI

InChI=1S/C36H37NO7/c1-5-42-32-21-26(13-16-31(32)44-23(3)38)34-33(36(40)43-18-17-24-9-7-6-8-10-24)22(2)37-29-19-27(20-30(39)35(29)34)25-11-14-28(41-4)15-12-25/h6-16,21,27,34,37H,5,17-20H2,1-4H3

InChI Key

LJODMNJPEYYMHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01823657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

595.69

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.225

Distribution Coefficient, logD

1.745

Water Solubility, LogSw

-5.51

Polar Surface Area

80.018

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.60

References: we are preparing a list of scientific research reports with 2786-4527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2786-4527?
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What is the minimum amount of 2786-4527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2786-4527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2786-4527
  • 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 2786-4527 available by request