2984-4842 Screening compound: benzyl 2-methyl-5-oxo-4,7-diphenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2984-4842 Screening compound: benzyl 2-methyl-5-oxo-4,7-diphenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2984-4842 Screening compound: benzyl 2-methyl-5-oxo-4,7-diphenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2984-4842
benzyl 2-methyl-5-oxo-4,7-diphenyl-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

2984-4842

Molecular Formula

C30H27NO3 (C30 H27 NO3)

Compound Name

benzyl 2-methyl-5-oxo-4,7-diphenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

benzyl 2-methyl-5-oxo-47-diphenyl-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CC(C1)c2ccccc2)=C(C2c3ccccc3)C1=O)=C2C(OCc1ccccc1)=O

InChI

InChI=1S/C30H27NO3/c1-20-27(30(33)34-19-21-11-5-2-6-12-21)28(23-15-9-4-10-16-23)29-25(31-20)17-24(18-26(29)32)22-13-7-3-8-14-22/h2-16,24,28,31H,17-19H2,1H3

InChI Key

YWGBWEAQQLRIII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00771591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.104

Distribution Coefficient, logD

1.881

Water Solubility, LogSw

-5.64

Polar Surface Area

44.507

Acid Dissociation Constant (pKa)

3.18

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.00

2984-4842 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2984-4842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2984-4842?
Check Price and Availability of 2984-4842, 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 2984-4842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2984-4842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2984-4842
  • 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 2984-4842 available by request