T855-0490 Screening compound: 1-cyclopentyl-N~4a~-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-1,2,3,4,5,6-hexahydro-4aH-cyclopenta[b]pyridine-4a-carboxamide

T855-0490 Screening compound: 1-cyclopentyl-N~4a~-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-1,2,3,4,5,6-hexahydro-4aH-cyclopenta[b]pyridine-4a-carboxamide
T855-0490 Screening compound: 1-cyclopentyl-N~4a~-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-1,2,3,4,5,6-hexahydro-4aH-cyclopenta[b]pyridine-4a-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T855-0490
1-cyclopentyl-N~4a~-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-1,2,3,4,5,6-hexahydro-4aH-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

T855-0490

Molecular Formula

C20H28N4O2 (C20 H28 N4 O2)

Compound Name

1-cyclopentyl-N~4a~-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-1,2,3,4,5,6-hexahydro-4aH-cyclopenta[b]pyridine-4a-carboxamide

IUPAC name

1-cyclopentyl-N-[(35-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-1H2H3H4H4aH5H6H-cyclopenta[b]pyridine-4a-carboxamide

SMILES

Cc1c(CNC(C2(CCC(N3C4CCCC4)=O)C3=CCC2)=O)c(C)n[nH]1

InChI

InChI=1S/C20H28N4O2/c1-13-16(14(2)23-22-13)12-21-19(26)20-10-5-8-17(20)24(18(25)9-11-20)15-6-3-4-7-15/h8,15H,3-7,9-12H2,1-2H3,(H,21,26)(H,22,23)/t20-/m1/s1

InChI Key

AMMBYQSNHSAOLQ-HXUWFJFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.356

Distribution Coefficient, logD

2.356

Water Solubility, LogSw

-2.36

Polar Surface Area

63.912

Acid Dissociation Constant (pKa)

12.64

Base Dissociation Constant (pKb)

2.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

T855-0490 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with T855-0490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T855-0490?
Check Price and Availability of T855-0490, 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 T855-0490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T855-0490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T855-0490
  • 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 T855-0490 available by request