T501-0052 Screening compound: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine

T501-0052 Screening compound: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
T501-0052 Screening compound: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T501-0052
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-[(4-methyl-4H-1,2,4-triazol-3-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

T501-0052

Molecular Formula

C14H21N5O3S (C14 H21 N5 O3 S)

Compound Name

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine

IUPAC name

1-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]-3-[(4-methyl-4H-124-triazol-3-yl)methyl]piperidine

SMILES

Cc1noc(C)c1S(N1CC(Cc2nncn2C)CCC1)(=O)=O

InChI

InChI=1S/C14H21N5O3S/c1-10-14(11(2)22-17-10)23(20,21)19-6-4-5-12(8-19)7-13-16-15-9-18(13)3/h9,12H,4-8H2,1-3H3/t12-/m1/s1

InChI Key

NFPCGZAIHGQTKW-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD29016434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.179

Distribution Coefficient, logD

0.179

Water Solubility, LogSw

-1.18

Polar Surface Area

79.809

Acid Dissociation Constant (pKa)

23.48

Base Dissociation Constant (pKb)

6.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.30

T501-0052 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T501-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T501-0052?
Check Price and Availability of T501-0052, 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 T501-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T501-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T501-0052
  • 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 T501-0052 available by request