T855-0444 Screening compound: 1-cyclopentyl-2-oxo-N-{[4-(trifluoromethoxy)phenyl]methyl}-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridine-4a-carboxamide

T855-0444 Screening compound: 1-cyclopentyl-2-oxo-N-{[4-(trifluoromethoxy)phenyl]methyl}-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridine-4a-carboxamide
T855-0444 Screening compound: 1-cyclopentyl-2-oxo-N-{[4-(trifluoromethoxy)phenyl]methyl}-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridine-4a-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T855-0444
1-cyclopentyl-2-oxo-N-{[4-(trifluoromethoxy)phenyl]methyl}-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridine-4a-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

T855-0444

Molecular Formula

C22H25F3N2O3 (C22 H25 F3 N2 O3)

Compound Name

1-cyclopentyl-2-oxo-N-{[4-(trifluoromethoxy)phenyl]methyl}-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridine-4a-carboxamide

IUPAC name

1-cyclopentyl-2-oxo-N-{[4-(trifluoromethoxy)phenyl]methyl}-1H2H3H4H4aH5H6H-cyclopenta[b]pyridine-4a-carboxamide

SMILES

O=C(C1(CCC(N2C3CCCC3)=O)C2=CCC1)NCc(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C22H25F3N2O3/c23-22(24,25)30-17-9-7-15(8-10-17)14-26-20(29)21-12-3-6-18(21)27(19(28)11-13-21)16-4-1-2-5-16/h6-10,16H,1-5,11-14H2,(H,26,29)/t21-/m1/s1

InChI Key

JNQKZXVMMSTZHZ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD31983167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.247

Distribution Coefficient, logD

4.247

Water Solubility, LogSw

-4.39

Polar Surface Area

45.933

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

T855-0444 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 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

Structure:
  • 3D
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T855-0444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T855-0444?
Check Price and Availability of T855-0444, 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 T855-0444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T855-0444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T855-0444
  • 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 T855-0444 available by request