3058-5073 Screening compound: 2-phenylethyl 4,7-bis(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

3058-5073 Screening compound: 2-phenylethyl 4,7-bis(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
3058-5073 Screening compound: 2-phenylethyl 4,7-bis(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3058-5073
2-phenylethyl 4,7-bis(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

3058-5073

Molecular Formula

C33H33NO5 (C33 H33 NO5)

Compound Name

2-phenylethyl 4,7-bis(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-phenylethyl 47-bis(4-methoxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CC(C1)c(cc2)ccc2OC)=C(C2c(cc3)ccc3OC)C1=O)=C2C(OCCc1ccccc1)=O

InChI

InChI=1S/C33H33NO5/c1-21-30(33(36)39-18-17-22-7-5-4-6-8-22)31(24-11-15-27(38-3)16-12-24)32-28(34-21)19-25(20-29(32)35)23-9-13-26(37-2)14-10-23/h4-16,25,31,34H,17-20H2,1-3H3

InChI Key

UITAWITTWBGPEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01825227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.494

Distribution Coefficient, logD

2.013

Water Solubility, LogSw

-5.80

Polar Surface Area

59.514

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.30

3058-5073 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3058-5073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3058-5073?
Check Price and Availability of 3058-5073, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3058-5073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3058-5073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3058-5073
  • 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 3058-5073 available by request