T654-0288 Screening compound: 3,3,3-TRIFLUORO-1-[2-(5-TETRAHYDRO-2H-PYRAN-4-YL-1,2,4-OXADIAZOL-3-YL)-2,3-DIHYDRO-1H-INDOL-1-YL]-1-PROPANONE

T654-0288 Screening compound: 3,3,3-TRIFLUORO-1-[2-(5-TETRAHYDRO-2H-PYRAN-4-YL-1,2,4-OXADIAZOL-3-YL)-2,3-DIHYDRO-1H-INDOL-1-YL]-1-PROPANONE
T654-0288 Screening compound: 3,3,3-TRIFLUORO-1-[2-(5-TETRAHYDRO-2H-PYRAN-4-YL-1,2,4-OXADIAZOL-3-YL)-2,3-DIHYDRO-1H-INDOL-1-YL]-1-PROPANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound T654-0288
3,3,3-TRIFLUORO-1-[2-(5-TETRAHYDRO-2H-PYRAN-4-YL-1,2,4-OXADIAZOL-3-YL)-2,3-DIHYDRO-1H-INDOL-1-YL]-1-PROPANONE

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

T654-0288

Molecular Formula

C18H18F3N3O3 (C18 H18 F3 N3 O3)

Compound Name

3,3,3-TRIFLUORO-1-[2-(5-TETRAHYDRO-2H-PYRAN-4-YL-1,2,4-OXADIAZOL-3-YL)-2,3-DIHYDRO-1H-INDOL-1-YL]-1-PROPANONE

IUPAC name

n/a

SMILES

O=C(CC(F)(F)F)N(C(C1)c2noc(C3CCOCC3)n2)c2c1cccc2

InChI

InChI=1S/C18H18F3N3O3/c19-18(20,21)10-15(25)24-13-4-2-1-3-12(13)9-14(24)16-22-17(27-23-16)11-5-7-26-8-6-11/h1-4,11,14H,5-10H2/t14-/m0/s1

InChI Key

XQDPZCXBAZVUCS-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD29018632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.366

Distribution Coefficient, logD

3.366

Water Solubility, LogSw

-3.29

Polar Surface Area

54.516

Acid Dissociation Constant (pKa)

22.26

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

T654-0288 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Indole Derivatives (10091 compounds)

PI3K-Targeted Library (17255 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

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

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with T654-0288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T654-0288?
Check Price and Availability of T654-0288, 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 T654-0288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T654-0288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T654-0288
  • 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 T654-0288 available by request