T619-4633 Screening compound: 2-{5-[1-(1-methyl-1H-pyrazole-5-carbonyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl}pyrazine

T619-4633 Screening compound: 2-{5-[1-(1-methyl-1H-pyrazole-5-carbonyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl}pyrazine
T619-4633 Screening compound: 2-{5-[1-(1-methyl-1H-pyrazole-5-carbonyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl}pyrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound T619-4633
2-{5-[1-(1-methyl-1H-pyrazole-5-carbonyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl}pyrazine

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

T619-4633

Molecular Formula

C16H17N7O2 (C16 H17 N7 O2)

Compound Name

2-{5-[1-(1-methyl-1H-pyrazole-5-carbonyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl}pyrazine

IUPAC name

2-{5-[1-(1-methyl-1H-pyrazole-5-carbonyl)piperidin-2-yl]-124-oxadiazol-3-yl}pyrazine

SMILES

Cn1nccc1C(N(CCCC1)C1c1nc(-c2nccnc2)no1)=O

InChI

InChI=1S/C16H17N7O2/c1-22-13(5-6-19-22)16(24)23-9-3-2-4-12(23)15-20-14(21-25-15)11-10-17-7-8-18-11/h5-8,10,12H,2-4,9H2,1H3/t12-/m0/s1

InChI Key

AWGWBUFAFGCWRQ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD29027847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.757

Distribution Coefficient, logD

0.757

Water Solubility, LogSw

-0.77

Polar Surface Area

80.202

Acid Dissociation Constant (pKa)

25.10

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

T619-4633 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with T619-4633 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T619-4633?
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What is the minimum amount of T619-4633 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T619-4633
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T619-4633
  • 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 T619-4633 available by request