T501-1379 Screening compound: N-(2-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide

T501-1379 Screening compound: N-(2-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
T501-1379 Screening compound: N-(2-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T501-1379
N-(2-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)-N-methyl-2-oxo-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

T501-1379

Molecular Formula

C27H32N6O4S (C27 H32 N6 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CN(CC(N1CC(Cc2nncn2Cc2ccccc2)CCC1)=O)S(c(cc1)cc(CC2)c1NC2=O)(=O)=O

InChI

InChI=1S/C27H32N6O4S/c1-31(38(36,37)23-10-11-24-22(15-23)9-12-26(34)29-24)18-27(35)32-13-5-8-21(17-32)14-25-30-28-19-33(25)16-20-6-3-2-4-7-20/h2-4,6-7,10-11,15,19,21H,5,8-9,12-14,16-18H2,1H3,(H,29,34)/t21-/m1/s1

InChI Key

YTTORNLZHXMCED-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD29016460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.66

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.616

Distribution Coefficient, logD

1.614

Water Solubility, LogSw

-2.72

Polar Surface Area

99.010

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

T501-1379 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)

GPCR Targeted Library (31838 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with T501-1379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T501-1379?
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What is the minimum amount of T501-1379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T501-1379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T501-1379
  • 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 T501-1379 available by request