T654-0229 Screening compound: cyclobutyl[2-(5-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-indol-1-yl]methanone

T654-0229 Screening compound: cyclobutyl[2-(5-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-indol-1-yl]methanone
T654-0229 Screening compound: cyclobutyl[2-(5-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-indol-1-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T654-0229
cyclobutyl[2-(5-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-indol-1-yl]methanone

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

T654-0229

Molecular Formula

C20H23N3O3 (C20 H23 N3 O3)

Compound Name

cyclobutyl[2-(5-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-indol-1-yl]methanone

IUPAC name

n/a

SMILES

O=C(C1CCC1)N(C(C1)c2noc(C3CCOCC3)n2)c2c1cccc2

InChI

InChI=1S/C20H23N3O3/c24-20(14-5-3-6-14)23-16-7-2-1-4-15(16)12-17(23)18-21-19(26-22-18)13-8-10-25-11-9-13/h1-2,4,7,13-14,17H,3,5-6,8-12H2/t17-/m0/s1

InChI Key

IQORQUOOYBAQBE-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD29002465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.170

Distribution Coefficient, logD

3.170

Water Solubility, LogSw

-3.17

Polar Surface Area

55.295

Acid Dissociation Constant (pKa)

21.78

Base Dissociation Constant (pKb)

-3.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

T654-0229 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Neuropeptide S Library (2850 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
  • Receptor's ligands
Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
  • Digestive system
  • Nervous system
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with T654-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T654-0229?
Check Price and Availability of T654-0229, 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 T654-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T654-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T654-0229
  • 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 T654-0229 available by request