2786-4521 Screening compound: 2-phenoxyethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2786-4521 Screening compound: 2-phenoxyethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2786-4521 Screening compound: 2-phenoxyethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-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 2786-4521
2-phenoxyethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-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

2786-4521

Molecular Formula

C40H39NO7 (C40 H39 NO7)

Compound Name

2-phenoxyethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-phenoxyethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CC(C1)c(cc2)ccc2OC)=C(C2c(cc3)cc(OC)c3OCc3ccccc3)C1=O)=C2C(OCCOc1ccccc1)=O

InChI

InChI=1S/C40H39NO7/c1-26-37(40(43)47-21-20-46-32-12-8-5-9-13-32)38(29-16-19-35(36(24-29)45-3)48-25-27-10-6-4-7-11-27)39-33(41-26)22-30(23-34(39)42)28-14-17-31(44-2)18-15-28/h4-19,24,30,38,41H,20-23,25H2,1-3H3

InChI Key

FWZRDDQXKMGYIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01823651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

645.75

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.188

Distribution Coefficient, logD

2.708

Water Solubility, LogSw

-5.72

Polar Surface Area

74.332

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

2786-4521 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 2786-4521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2786-4521?
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What is the minimum amount of 2786-4521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2786-4521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2786-4521
  • 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 2786-4521 available by request