2786-4456 Screening compound: 2-phenoxyethyl 4-(2H-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2786-4456 Screening compound: 2-phenoxyethyl 4-(2H-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2786-4456 Screening compound: 2-phenoxyethyl 4-(2H-1,3-benzodioxol-5-yl)-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 2786-4456
2-phenoxyethyl 4-(2H-1,3-benzodioxol-5-yl)-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

2786-4456

Molecular Formula

C33H31NO7 (C33 H31 NO7)

Compound Name

2-phenoxyethyl 4-(2H-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-phenoxyethyl 4-(2H-13-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CC(C1)c(cc2)ccc2OC)=C(C2c(cc3)cc4c3OCO4)C1=O)=C2C(OCCOc1ccccc1)=O

InChI

InChI=1S/C33H31NO7/c1-20-30(33(36)39-15-14-38-25-6-4-3-5-7-25)31(22-10-13-28-29(18-22)41-19-40-28)32-26(34-20)16-23(17-27(32)35)21-8-11-24(37-2)12-9-21/h3-13,18,23,31,34H,14-17,19H2,1-2H3

InChI Key

OJZQBRJZAKMTEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01823608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.946

Distribution Coefficient, logD

1.465

Water Solubility, LogSw

-5.59

Polar Surface Area

76.503

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.30

2786-4456 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 2786-4456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2786-4456?
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What is the minimum amount of 2786-4456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2786-4456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2786-4456
  • 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 2786-4456 available by request