T501-1382 Screening compound: N-(2-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)-N,3-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

T501-1382 Screening compound: N-(2-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)-N,3-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
T501-1382 Screening compound: N-(2-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)-N,3-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T501-1382
N-(2-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)-N,3-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

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

T501-1382

Molecular Formula

C26H30N6O5S (C26 H30 N6 O5 S)

Compound Name

N-(2-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)-N,3-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

IUPAC name

N-(2-{3-[(4-benzyl-4H-124-triazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)-N3-dimethyl-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamide

SMILES

CN(CC(N1CC(Cc2nncn2Cc2ccccc2)CCC1)=O)S(c(cc1)cc(O2)c1N(C)C2=O)(=O)=O

InChI

InChI=1S/C26H30N6O5S/c1-29(38(35,36)21-10-11-22-23(14-21)37-26(34)30(22)2)17-25(33)31-12-6-9-20(16-31)13-24-28-27-18-32(24)15-19-7-4-3-5-8-19/h3-5,7-8,10-11,14,18,20H,6,9,12-13,15-17H2,1-2H3/t20-/m1/s1

InChI Key

IPYYAOPFJQKENG-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD29016461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.63

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.699

Distribution Coefficient, logD

1.699

Water Solubility, LogSw

-2.69

Polar Surface Area

97.055

Acid Dissociation Constant (pKa)

19.60

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

T501-1382 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with T501-1382 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T501-1382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T501-1382
  • 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 T501-1382 available by request