T802-1174 Screening compound: 2-(3,5-dimethyl-4-isoxazolyl)-1-[2-(2-piperidinoethyl)piperidino]-1-ethanone

T802-1174 Screening compound: 2-(3,5-dimethyl-4-isoxazolyl)-1-[2-(2-piperidinoethyl)piperidino]-1-ethanone
T802-1174 Screening compound: 2-(3,5-dimethyl-4-isoxazolyl)-1-[2-(2-piperidinoethyl)piperidino]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T802-1174
2-(3,5-dimethyl-4-isoxazolyl)-1-[2-(2-piperidinoethyl)piperidino]-1-ethanone

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

T802-1174

Molecular Formula

C19H31N3O2 (C19 H31 N3 O2)

Compound Name

2-(3,5-dimethyl-4-isoxazolyl)-1-[2-(2-piperidinoethyl)piperidino]-1-ethanone

IUPAC name

n/a

SMILES

Cc1noc(C)c1CC(N1C(CCN2CCCCC2)CCCC1)=O

InChI

InChI=1S/C19H31N3O2/c1-15-18(16(2)24-20-15)14-19(23)22-12-7-4-8-17(22)9-13-21-10-5-3-6-11-21/h17H,3-14H2,1-2H3/t17-/m1/s1

InChI Key

BKNQGCQCPBRWLW-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD27623526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.534

Distribution Coefficient, logD

0.690

Water Solubility, LogSw

-2.06

Polar Surface Area

41.755

Acid Dissociation Constant (pKa)

14.76

Base Dissociation Constant (pKb)

9.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

78.90

T802-1174 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T802-1174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T802-1174?
Check Price and Availability of T802-1174, 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 T802-1174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T802-1174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T802-1174
  • 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 T802-1174 available by request