T855-0453 Screening compound: 1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridine-4a-carboxamide

T855-0453 Screening compound: 1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridine-4a-carboxamide
T855-0453 Screening compound: 1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridine-4a-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T855-0453
1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]-2-oxo-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

T855-0453

Molecular Formula

C21H24F2N2O2 (C21 H24 F2 N2 O2)

Compound Name

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

IUPAC name

1-cyclopentyl-N-[(25-difluorophenyl)methyl]-2-oxo-1H2H3H4H4aH5H6H-cyclopenta[b]pyridine-4a-carboxamide

SMILES

O=C(C1(CCC(N2C3CCCC3)=O)C2=CCC1)NCc(cc(cc1)F)c1F

InChI

InChI=1S/C21H24F2N2O2/c22-15-7-8-17(23)14(12-15)13-24-20(27)21-10-3-6-18(21)25(19(26)9-11-21)16-4-1-2-5-16/h6-8,12,16H,1-5,9-11,13H2,(H,24,27)/t21-/m1/s1

InChI Key

OIRIBYAYDLHONZ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD31988779

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

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.637

Distribution Coefficient, logD

3.637

Water Solubility, LogSw

-3.93

Polar Surface Area

39.997

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

T855-0453 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T855-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T855-0453?
Check Price and Availability of T855-0453, 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 T855-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T855-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T855-0453
  • 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 T855-0453 available by request