T808-2792 Screening compound: 2-ethoxy-1-{4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl}ethan-1-one

T808-2792 Screening compound: 2-ethoxy-1-{4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl}ethan-1-one
T808-2792 Screening compound: 2-ethoxy-1-{4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T808-2792
2-ethoxy-1-{4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl}ethan-1-one

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

T808-2792

Molecular Formula

C20H24FN3O4 (C20 H24 FN3 O4)

Compound Name

2-ethoxy-1-{4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl}ethan-1-one

IUPAC name

2-ethoxy-1-{4-[3-(4-fluorophenyl)-124-oxadiazol-5-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl}ethan-1-one

SMILES

CCOCC(N(C1)CC2(CCOCC2)C1c1nc(-c(cc2)ccc2F)no1)=O

InChI

InChI=1S/C20H24FN3O4/c1-2-26-12-17(25)24-11-16(20(13-24)7-9-27-10-8-20)19-22-18(23-28-19)14-3-5-15(21)6-4-14/h3-6,16H,2,7-13H2,1H3/t16-/m1/s1

InChI Key

KDPNQZVOEWKJEQ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27623675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.556

Distribution Coefficient, logD

2.556

Water Solubility, LogSw

-2.57

Polar Surface Area

64.157

Acid Dissociation Constant (pKa)

21.85

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

T808-2792 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Ligand-Gated Ion Channels Library (3887 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Eye
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • Ion Channels
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with T808-2792 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T808-2792?
Check Price and Availability of T808-2792, 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 T808-2792 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T808-2792
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T808-2792
  • 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 T808-2792 available by request