T629-0557 Screening compound: 1-[(3-METHYL-2-THIENYL)METHYL]-3-[5-(3-PYRIDYL)-4H-1,2,4-TRIAZOL-3-YL]PIPERIDINE

T629-0557 Screening compound: 1-[(3-METHYL-2-THIENYL)METHYL]-3-[5-(3-PYRIDYL)-4H-1,2,4-TRIAZOL-3-YL]PIPERIDINE
T629-0557 Screening compound: 1-[(3-METHYL-2-THIENYL)METHYL]-3-[5-(3-PYRIDYL)-4H-1,2,4-TRIAZOL-3-YL]PIPERIDINE alternative view

Chemical Structure Depiction of ChemDiv screening compound T629-0557
1-[(3-METHYL-2-THIENYL)METHYL]-3-[5-(3-PYRIDYL)-4H-1,2,4-TRIAZOL-3-YL]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

T629-0557

Molecular Formula

C18H21N5S (C18 H21 N5 S)

Compound Name

1-[(3-METHYL-2-THIENYL)METHYL]-3-[5-(3-PYRIDYL)-4H-1,2,4-TRIAZOL-3-YL]PIPERIDINE

IUPAC name

3-(5-{1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl}-4H-124-triazol-3-yl)pyridine

SMILES

Cc1c(CN(CCC2)CC2c2nnc(-c3cnccc3)[nH]2)scc1

InChI

InChI=1S/C18H21N5S/c1-13-6-9-24-16(13)12-23-8-3-5-15(11-23)18-20-17(21-22-18)14-4-2-7-19-10-14/h2,4,6-7,9-10,15H,3,5,8,11-12H2,1H3,(H,20,21,22)/t15-/m0/s1

InChI Key

AZFOCHMKZJGJSK-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD29027929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.274

Distribution Coefficient, logD

1.710

Water Solubility, LogSw

-1.78

Polar Surface Area

47.954

Acid Dissociation Constant (pKa)

3.98

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.89

T629-0557 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T629-0557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T629-0557?
Check Price and Availability of T629-0557, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of T629-0557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T629-0557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T629-0557
  • 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 T629-0557 available by request