2326-3333 Screening compound: 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

2326-3333 Screening compound: 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2326-3333 Screening compound: 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2326-3333
4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

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

2326-3333

Molecular Formula

C27H29N3O (C27 H29 N3 O)

Compound Name

4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-7-phenyl-145678-hexahydroquinoline-3-carbonitrile

SMILES

CCN(CC)c1ccc(C2C(C#N)=C(C)NC(CC(C3)c4ccccc4)=C2C3=O)cc1

InChI

InChI=1S/C27H29N3O/c1-4-30(5-2)22-13-11-20(12-14-22)26-23(17-28)18(3)29-24-15-21(16-25(31)27(24)26)19-9-7-6-8-10-19/h6-14,21,26,29H,4-5,15-16H2,1-3H3

InChI Key

FYYZYBYOJWWHOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01445611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.251

Distribution Coefficient, logD

2.157

Water Solubility, LogSw

-5.13

Polar Surface Area

43.442

Acid Dissociation Constant (pKa)

4.31

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

2326-3333 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 2326-3333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2326-3333?
Check Price and Availability of 2326-3333, 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 2326-3333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2326-3333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2326-3333
  • 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 2326-3333 available by request