T818-0767 Screening compound: 2-(1H-imidazole-4-sulfonyl)-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-8-oxa-2-azaspiro[4.5]decane

T818-0767 Screening compound: 2-(1H-imidazole-4-sulfonyl)-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-8-oxa-2-azaspiro[4.5]decane
T818-0767 Screening compound: 2-(1H-imidazole-4-sulfonyl)-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-8-oxa-2-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound T818-0767
2-(1H-imidazole-4-sulfonyl)-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-8-oxa-2-azaspiro[4.5]decane

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

T818-0767

Molecular Formula

C18H20N6O4S (C18 H20 N6 O4 S)

Compound Name

2-(1H-imidazole-4-sulfonyl)-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-8-oxa-2-azaspiro[4.5]decane

IUPAC name

2-(1H-imidazole-4-sulfonyl)-4-[3-(pyridin-3-yl)-124-oxadiazol-5-yl]-8-oxa-2-azaspiro[4.5]decane

SMILES

O=S(c1c[nH]cn1)(N(C1)CC2(CCOCC2)C1c1nc(-c2cnccc2)no1)=O

InChI

InChI=1S/C18H20N6O4S/c25-29(26,15-9-20-12-21-15)24-10-14(18(11-24)3-6-27-7-4-18)17-22-16(23-28-17)13-2-1-5-19-8-13/h1-2,5,8-9,12,14H,3-4,6-7,10-11H2,(H,20,21)/t14-/m0/s1

InChI Key

MPXCFTYIEKLFQX-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD29028349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.963

Distribution Coefficient, logD

0.324

Water Solubility, LogSw

-1.88

Polar Surface Area

102.008

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

T818-0767 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

KRAS-Targeted Library (16000 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T818-0767 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T818-0767?
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What is the minimum amount of T818-0767 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T818-0767
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T818-0767
  • 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 T818-0767 available by request