T160-0679 Screening compound: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-({1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}methyl)piperidine

T160-0679 Screening compound: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-({1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}methyl)piperidine
T160-0679 Screening compound: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-({1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}methyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T160-0679
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-({1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}methyl)piperidine

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

T160-0679

Molecular Formula

C22H27FN4O3S (C22 H27 FN4 O3 S)

Compound Name

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-({1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}methyl)piperidine

IUPAC name

1-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]-4-({1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}methyl)piperidine

SMILES

Cc1cnc(CC(CC2)CCN2S(c2c(C)onc2C)(=O)=O)n1Cc(cc1)ccc1F

InChI

InChI=1S/C22H27FN4O3S/c1-15-13-24-21(27(15)14-19-4-6-20(23)7-5-19)12-18-8-10-26(11-9-18)31(28,29)22-16(2)25-30-17(22)3/h4-7,13,18H,8-12,14H2,1-3H3

InChI Key

KFCRLBRFXIZWCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31999934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.140

Distribution Coefficient, logD

1.899

Water Solubility, LogSw

-3.07

Polar Surface Area

65.877

Acid Dissociation Constant (pKa)

23.06

Base Dissociation Constant (pKb)

8.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

T160-0679 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T160-0679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T160-0679?
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What is the minimum amount of T160-0679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T160-0679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T160-0679
  • 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 T160-0679 available by request