8016-8963 Screening compound: 2-methyl-4-[4-(morpholinomethyl)-2-thienyl]-5-oxo-N-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide

8016-8963 Screening compound: 2-methyl-4-[4-(morpholinomethyl)-2-thienyl]-5-oxo-N-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
8016-8963 Screening compound: 2-methyl-4-[4-(morpholinomethyl)-2-thienyl]-5-oxo-N-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8963
2-methyl-4-[4-(morpholinomethyl)-2-thienyl]-5-oxo-N-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide

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

8016-8963

Molecular Formula

C26H29N3O3S (C26 H29 N3 O3 S)

Compound Name

2-methyl-4-[4-(morpholinomethyl)-2-thienyl]-5-oxo-N-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide

IUPAC name

2-methyl-4-{4-[(morpholin-4-yl)methyl]thiophen-2-yl}-5-oxo-N-phenyl-145678-hexahydroquinoline-3-carboxamide

SMILES

CC(NC(CCC1)=C(C2c3cc(CN4CCOCC4)cs3)C1=O)=C2C(Nc1ccccc1)=O

InChI

InChI=1S/C26H29N3O3S/c1-17-23(26(31)28-19-6-3-2-4-7-19)25(24-20(27-17)8-5-9-21(24)30)22-14-18(16-33-22)15-29-10-12-32-13-11-29/h2-4,6-7,14,16,25,27H,5,8-13,15H2,1H3,(H,28,31)/t25-/m0/s1

InChI Key

JFTIRKPMJGICAH-VWLOTQADSA-N

MDL Number (MFCD)

MFCD05860096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.940

Distribution Coefficient, logD

2.940

Water Solubility, LogSw

-3.54

Polar Surface Area

59.672

Acid Dissociation Constant (pKa)

5.70

Base Dissociation Constant (pKb)

8.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

8016-8963 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 8016-8963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8963?
Check Price and Availability of 8016-8963, 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 8016-8963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8963
  • 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 8016-8963 available by request