T501-1461 Screening compound: N-methyl-2-oxo-N-(2-oxo-2-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide

T501-1461 Screening compound: N-methyl-2-oxo-N-(2-oxo-2-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
T501-1461 Screening compound: N-methyl-2-oxo-N-(2-oxo-2-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T501-1461
N-methyl-2-oxo-N-(2-oxo-2-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethyl)-1,2,3,4-tetrahydroquinoline-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

T501-1461

Molecular Formula

C26H30N6O4S (C26 H30 N6 O4 S)

Compound Name

N-methyl-2-oxo-N-(2-oxo-2-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide

IUPAC name

N-methyl-2-oxo-N-(2-oxo-2-{3-[(4-phenyl-4H-124-triazol-3-yl)methyl]piperidin-1-yl}ethyl)-1234-tetrahydroquinoline-6-sulfonamide

SMILES

CN(CC(N1CC(Cc2nncn2-c2ccccc2)CCC1)=O)S(c(cc1)cc(CC2)c1NC2=O)(=O)=O

InChI

InChI=1S/C26H30N6O4S/c1-30(37(35,36)22-10-11-23-20(15-22)9-12-25(33)28-23)17-26(34)31-13-5-6-19(16-31)14-24-29-27-18-32(24)21-7-3-2-4-8-21/h2-4,7-8,10-11,15,18-19H,5-6,9,12-14,16-17H2,1H3,(H,28,33)/t19-/m1/s1

InChI Key

ILJAWBAIYXJOFV-LJQANCHMSA-N

MDL Number (MFCD)

MFCD29016466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.63

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.591

Distribution Coefficient, logD

1.589

Water Solubility, LogSw

-2.72

Polar Surface Area

99.469

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

T501-1461 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)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with T501-1461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T501-1461?
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What is the minimum amount of T501-1461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T501-1461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T501-1461
  • 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 T501-1461 available by request