L372-0949 Screening compound: 2,5-dioxo-N-[2-(thiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

L372-0949 Screening compound: 2,5-dioxo-N-[2-(thiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
L372-0949 Screening compound: 2,5-dioxo-N-[2-(thiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L372-0949
2,5-dioxo-N-[2-(thiophen-2-yl)ethyl]-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

L372-0949

Molecular Formula

C23H19F3N2O3S (C23 H19 F3 N2 O3 S)

Compound Name

2,5-dioxo-N-[2-(thiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

25-dioxo-N-[2-(thiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]-125678-hexahydroquinoline-3-carboxamide

SMILES

O=C(C1=CC(C(CCC2)=O)=C2N(c2ccc(C(F)(F)F)cc2)C1=O)NCCc1cccs1

InChI

InChI=1S/C23H19F3N2O3S/c24-23(25,26)14-6-8-15(9-7-14)28-19-4-1-5-20(29)17(19)13-18(22(28)31)21(30)27-11-10-16-3-2-12-32-16/h2-3,6-9,12-13H,1,4-5,10-11H2,(H,27,30)

InChI Key

QSTOJBDUUNBFRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15125719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.223

Distribution Coefficient, logD

3.223

Water Solubility, LogSw

-3.77

Polar Surface Area

53.853

Acid Dissociation Constant (pKa)

11.27

Base Dissociation Constant (pKb)

-4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

L372-0949 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L372-0949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L372-0949?
Check Price and Availability of L372-0949, 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 L372-0949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L372-0949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L372-0949
  • 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 L372-0949 available by request