T500-1963 Screening compound: 9-[1-(3-phenyl-1H-pyrazole-4-carbonyl)piperidine-4-carbonyl]-1-oxa-9-azaspiro[5.5]undecane

T500-1963 Screening compound: 9-[1-(3-phenyl-1H-pyrazole-4-carbonyl)piperidine-4-carbonyl]-1-oxa-9-azaspiro[5.5]undecane
T500-1963 Screening compound: 9-[1-(3-phenyl-1H-pyrazole-4-carbonyl)piperidine-4-carbonyl]-1-oxa-9-azaspiro[5.5]undecane alternative view

Chemical Structure Depiction of ChemDiv screening compound T500-1963
9-[1-(3-phenyl-1H-pyrazole-4-carbonyl)piperidine-4-carbonyl]-1-oxa-9-azaspiro[5.5]undecane

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

T500-1963

Molecular Formula

C25H32N4O3 (C25 H32 N4 O3)

Compound Name

9-[1-(3-phenyl-1H-pyrazole-4-carbonyl)piperidine-4-carbonyl]-1-oxa-9-azaspiro[5.5]undecane

IUPAC name

9-[1-(3-phenyl-1H-pyrazole-4-carbonyl)piperidine-4-carbonyl]-1-oxa-9-azaspiro[5.5]undecane

SMILES

O=C(C(CC1)CCN1C(c1c[nH]nc1-c1ccccc1)=O)N(CC1)CCC11OCCCC1

InChI

InChI=1S/C25H32N4O3/c30-23(29-15-11-25(12-16-29)10-4-5-17-32-25)20-8-13-28(14-9-20)24(31)21-18-26-27-22(21)19-6-2-1-3-7-19/h1-3,6-7,18,20H,4-5,8-17H2,(H,26,27)

InChI Key

LXEPRQUMCWEJED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32261793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.224

Distribution Coefficient, logD

2.224

Water Solubility, LogSw

-2.88

Polar Surface Area

64.327

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.00

T500-1963 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with T500-1963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T500-1963?
Check Price and Availability of T500-1963, 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 T500-1963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T500-1963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T500-1963
  • 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 T500-1963 available by request