T629-0779 Screening compound: 3-[5-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]-1-[(3-methyl-2-thienyl)methyl]piperidine

T629-0779 Screening compound: 3-[5-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]-1-[(3-methyl-2-thienyl)methyl]piperidine
T629-0779 Screening compound: 3-[5-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]-1-[(3-methyl-2-thienyl)methyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T629-0779
3-[5-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]-1-[(3-methyl-2-thienyl)methyl]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

T629-0779

Molecular Formula

C16H24N4OS (C16 H24 N4 OS)

Compound Name

3-[5-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]-1-[(3-methyl-2-thienyl)methyl]piperidine

IUPAC name

3-[5-(2-methoxyethyl)-4H-124-triazol-3-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine

SMILES

Cc1c(CN(CCC2)CC2c2nnc(CCOC)[nH]2)scc1

InChI

InChI=1S/C16H24N4OS/c1-12-6-9-22-14(12)11-20-7-3-4-13(10-20)16-17-15(18-19-16)5-8-21-2/h6,9,13H,3-5,7-8,10-11H2,1-2H3,(H,17,18,19)/t13-/m0/s1

InChI Key

XBAZDSLWEMYNPP-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27622523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.841

Distribution Coefficient, logD

0.811

Water Solubility, LogSw

-2.27

Polar Surface Area

48.041

Acid Dissociation Constant (pKa)

7.30

Base Dissociation Constant (pKb)

8.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

T629-0779 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T629-0779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T629-0779?
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What is the minimum amount of T629-0779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T629-0779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T629-0779
  • 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 T629-0779 available by request