L372-0945 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

L372-0945 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
L372-0945 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L372-0945
N-{[4-(dimethylamino)phenyl]methyl}-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

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

L372-0945

Molecular Formula

C26H24F3N3O3 (C26 H24 F3 N3 O3)

Compound Name

N-{[4-(dimethylamino)phenyl]methyl}-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

N-{[4-(dimethylamino)phenyl]methyl}-25-dioxo-1-[4-(trifluoromethyl)phenyl]-125678-hexahydroquinoline-3-carboxamide

SMILES

CN(C)c1ccc(CNC(C2=CC(C(CCC3)=O)=C3N(c3ccc(C(F)(F)F)cc3)C2=O)=O)cc1

InChI

InChI=1S/C26H24F3N3O3/c1-31(2)18-10-6-16(7-11-18)15-30-24(34)21-14-20-22(4-3-5-23(20)33)32(25(21)35)19-12-8-17(9-13-19)26(27,28)29/h6-14H,3-5,15H2,1-2H3,(H,30,34)

InChI Key

CINIKOUVKPBTNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15125718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.421

Distribution Coefficient, logD

3.405

Water Solubility, LogSw

-4.01

Polar Surface Area

55.798

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

L372-0945 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with L372-0945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L372-0945?
Check Price and Availability of L372-0945, 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 L372-0945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L372-0945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L372-0945
  • 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 L372-0945 available by request