T813-0087 Screening compound: ethyl 1-[(5-phenyl-4-isoxazolyl)methyl]-3-piperidinecarboxylate

T813-0087 Screening compound: ethyl 1-[(5-phenyl-4-isoxazolyl)methyl]-3-piperidinecarboxylate
T813-0087 Screening compound: ethyl 1-[(5-phenyl-4-isoxazolyl)methyl]-3-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound T813-0087
ethyl 1-[(5-phenyl-4-isoxazolyl)methyl]-3-piperidinecarboxylate

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

T813-0087

Molecular Formula

C18H22N2O3 (C18 H22 N2 O3)

Compound Name

ethyl 1-[(5-phenyl-4-isoxazolyl)methyl]-3-piperidinecarboxylate

IUPAC name

n/a

SMILES

CCOC(C1CN(Cc2c(-c3ccccc3)onc2)CCC1)=O

InChI

InChI=1S/C18H22N2O3/c1-2-22-18(21)15-9-6-10-20(12-15)13-16-11-19-23-17(16)14-7-4-3-5-8-14/h3-5,7-8,11,15H,2,6,9-10,12-13H2,1H3/t15-/m0/s1

InChI Key

OVDDMOHZQUSKKQ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27623692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.652

Distribution Coefficient, logD

1.679

Water Solubility, LogSw

-2.57

Polar Surface Area

46.850

Acid Dissociation Constant (pKa)

22.31

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

T813-0087 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
Targets:
  • GPCR
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with T813-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T813-0087?
Check Price and Availability of T813-0087, 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 T813-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T813-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T813-0087
  • 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 T813-0087 available by request