T501-1486 Screening compound: 4-[(4-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,1,3-benzoxadiazole

T501-1486 Screening compound: 4-[(4-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,1,3-benzoxadiazole
T501-1486 Screening compound: 4-[(4-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,1,3-benzoxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound T501-1486
4-[(4-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,1,3-benzoxadiazole

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

T501-1486

Molecular Formula

C26H29N7O4S (C26 H29 N7 O4 S)

Compound Name

4-[(4-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,1,3-benzoxadiazole

IUPAC name

4-[(4-{3-[(4-phenyl-4H-124-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-213-benzoxadiazole

SMILES

O=C(C(CC1)CCN1S(c1cccc2nonc12)(=O)=O)N1CC(Cc2nncn2-c2ccccc2)CCC1

InChI

InChI=1S/C26H29N7O4S/c34-26(20-11-14-32(15-12-20)38(35,36)23-10-4-9-22-25(23)30-37-29-22)31-13-5-6-19(17-31)16-24-28-27-18-33(24)21-7-2-1-3-8-21/h1-4,7-10,18-20H,5-6,11-17H2/t19-/m1/s1

InChI Key

UIIKZIQACBMGNZ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD31972817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.63

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.997

Distribution Coefficient, logD

2.997

Water Solubility, LogSw

-3.34

Polar Surface Area

110.141

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.31

T501-1486 in Drug Discovery

Included in Screening Libraries

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

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with T501-1486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T501-1486?
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What is the minimum amount of T501-1486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T501-1486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T501-1486
  • 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 T501-1486 available by request