T501-1333 Screening compound: 3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]-1-{5-methyl-4-[(3,4,5-trimethyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}piperidine

T501-1333 Screening compound: 3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]-1-{5-methyl-4-[(3,4,5-trimethyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}piperidine
T501-1333 Screening compound: 3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]-1-{5-methyl-4-[(3,4,5-trimethyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T501-1333
3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]-1-{5-methyl-4-[(3,4,5-trimethyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}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

T501-1333

Molecular Formula

C27H33N7O2 (C27 H33 N7 O2)

Compound Name

3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]-1-{5-methyl-4-[(3,4,5-trimethyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}piperidine

IUPAC name

3-[(4-benzyl-4H-124-triazol-3-yl)methyl]-1-{5-methyl-4-[(345-trimethyl-1H-pyrazol-1-yl)methyl]-12-oxazole-3-carbonyl}piperidine

SMILES

Cc1c(C)n(Cc2c(C)onc2C(N2CC(Cc3nncn3Cc3ccccc3)CCC2)=O)nc1C

InChI

InChI=1S/C27H33N7O2/c1-18-19(2)30-34(20(18)3)16-24-21(4)36-31-26(24)27(35)32-12-8-11-23(15-32)13-25-29-28-17-33(25)14-22-9-6-5-7-10-22/h5-7,9-10,17,23H,8,11-16H2,1-4H3/t23-/m1/s1

InChI Key

AXVVWDSUIQZPNW-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD31998682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.574

Distribution Coefficient, logD

2.573

Water Solubility, LogSw

-2.63

Polar Surface Area

78.395

Acid Dissociation Constant (pKa)

19.60

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

T501-1333 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with T501-1333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T501-1333?
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What is the minimum amount of T501-1333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T501-1333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T501-1333
  • 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 T501-1333 available by request