T853-0293 Screening compound: 1-cyclopentyl-N~4a~-(2,4-difluorophenyl)-2-oxo-1,3,4,5,6,7-hexahydro-4a(2H)-quinolinecarboxamide

T853-0293 Screening compound: 1-cyclopentyl-N~4a~-(2,4-difluorophenyl)-2-oxo-1,3,4,5,6,7-hexahydro-4a(2H)-quinolinecarboxamide
T853-0293 Screening compound: 1-cyclopentyl-N~4a~-(2,4-difluorophenyl)-2-oxo-1,3,4,5,6,7-hexahydro-4a(2H)-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T853-0293
1-cyclopentyl-N~4a~-(2,4-difluorophenyl)-2-oxo-1,3,4,5,6,7-hexahydro-4a(2H)-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

T853-0293

Molecular Formula

C21H24F2N2O2 (C21 H24 F2 N2 O2)

Compound Name

1-cyclopentyl-N~4a~-(2,4-difluorophenyl)-2-oxo-1,3,4,5,6,7-hexahydro-4a(2H)-quinolinecarboxamide

IUPAC name

1-cyclopentyl-N-(24-difluorophenyl)-2-oxo-12344a567-octahydroquinoline-4a-carboxamide

SMILES

O=C(C1(CCC(N2C3CCCC3)=O)C2=CCCC1)Nc(ccc(F)c1)c1F

InChI

InChI=1S/C21H24F2N2O2/c22-14-8-9-17(16(23)13-14)24-20(27)21-11-4-3-7-18(21)25(19(26)10-12-21)15-5-1-2-6-15/h7-9,13,15H,1-6,10-12H2,(H,24,27)/t21-/m1/s1

InChI Key

WQDGQGJTTNUGLC-OAQYLSRUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.215

Distribution Coefficient, logD

3.779

Water Solubility, LogSw

-4.29

Polar Surface Area

37.611

Acid Dissociation Constant (pKa)

7.16

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

T853-0293 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T853-0293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T853-0293?
Check Price and Availability of T853-0293, 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 T853-0293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T853-0293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T853-0293
  • 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 T853-0293 available by request