P085-1155 Screening compound: N~1~-{3-[4-(piperidinocarbonyl)phenyl][1,2,4]triazolo[4,3-a]pyridin-6-yl}-1-cyclobutanecarboxamide

P085-1155 Screening compound: N~1~-{3-[4-(piperidinocarbonyl)phenyl][1,2,4]triazolo[4,3-a]pyridin-6-yl}-1-cyclobutanecarboxamide
P085-1155 Screening compound: N~1~-{3-[4-(piperidinocarbonyl)phenyl][1,2,4]triazolo[4,3-a]pyridin-6-yl}-1-cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P085-1155
N~1~-{3-[4-(piperidinocarbonyl)phenyl][1,2,4]triazolo[4,3-a]pyridin-6-yl}-1-cyclobutanecarboxamide

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

P085-1155

Molecular Formula

C23H25N5O2 (C23 H25 N5 O2)

Compound Name

N~1~-{3-[4-(piperidinocarbonyl)phenyl][1,2,4]triazolo[4,3-a]pyridin-6-yl}-1-cyclobutanecarboxamide

IUPAC name

N-{3-[4-(piperidine-1-carbonyl)phenyl]-[124]triazolo[43-a]pyridin-6-yl}cyclobutanecarboxamide

SMILES

O=C(C1CCC1)Nc1cn2c(-c(cc3)ccc3C(N3CCCCC3)=O)nnc2cc1

InChI

InChI=1S/C23H25N5O2/c29-22(17-5-4-6-17)24-19-11-12-20-25-26-21(28(20)15-19)16-7-9-18(10-8-16)23(30)27-13-2-1-3-14-27/h7-12,15,17H,1-6,13-14H2,(H,24,29)

InChI Key

XDEMMVKDWYEHGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27563362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.029

Distribution Coefficient, logD

2.029

Water Solubility, LogSw

-2.41

Polar Surface Area

61.733

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.13

P085-1155 in Drug Discovery

Included in Screening Libraries

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

Allosteric Kinases Inhibitors Library (23117 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with P085-1155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P085-1155?
Check Price and Availability of P085-1155, 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 P085-1155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P085-1155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P085-1155
  • 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 P085-1155 available by request