C202-3125 Screening compound: 2,5-dioxo-7-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

C202-3125 Screening compound: 2,5-dioxo-7-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
C202-3125 Screening compound: 2,5-dioxo-7-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3125
2,5-dioxo-7-phenyl-N-[4-(trifluoromethoxy)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

C202-3125

Molecular Formula

C23H17F3N2O4 (C23 H17 F3 N2 O4)

Compound Name

2,5-dioxo-7-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

25-dioxo-7-phenyl-N-[4-(trifluoromethoxy)phenyl]-125678-hexahydroquinoline-3-carboxamide

SMILES

O=C(C1=CC(C(CC(C2)c3ccccc3)=O)=C2NC1=O)Nc(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C23H17F3N2O4/c24-23(25,26)32-16-8-6-15(7-9-16)27-21(30)18-12-17-19(28-22(18)31)10-14(11-20(17)29)13-4-2-1-3-5-13/h1-9,12,14H,10-11H2,(H,27,30)(H,28,31)/t14-/m0/s1

InChI Key

LBDTUSQXEPHUPX-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD26963304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.646

Distribution Coefficient, logD

0.862

Water Solubility, LogSw

-4.71

Polar Surface Area

67.091

Acid Dissociation Constant (pKa)

3.62

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

C202-3125 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C202-3125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3125?
Check Price and Availability of C202-3125, 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 C202-3125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3125
  • 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 C202-3125 available by request