T632-2486 Screening compound: 1-[4-(4-propyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(thiophen-2-yl)ethan-1-one

T632-2486 Screening compound: 1-[4-(4-propyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(thiophen-2-yl)ethan-1-one
T632-2486 Screening compound: 1-[4-(4-propyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(thiophen-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T632-2486
1-[4-(4-propyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(thiophen-2-yl)ethan-1-one

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

T632-2486

Molecular Formula

C16H22N4OS (C16 H22 N4 OS)

Compound Name

1-[4-(4-propyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(thiophen-2-yl)ethan-1-one

IUPAC name

1-[4-(4-propyl-4H-124-triazol-3-yl)piperidin-1-yl]-2-(thiophen-2-yl)ethan-1-one

SMILES

CCCn1c(C(CC2)CCN2C(Cc2cccs2)=O)nnc1

InChI

InChI=1S/C16H22N4OS/c1-2-7-20-12-17-18-16(20)13-5-8-19(9-6-13)15(21)11-14-4-3-10-22-14/h3-4,10,12-13H,2,5-9,11H2,1H3

InChI Key

XDXSFELOOMQPKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29028132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.594

Distribution Coefficient, logD

1.594

Water Solubility, LogSw

-2.05

Polar Surface Area

41.712

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

T632-2486 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with T632-2486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T632-2486?
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What is the minimum amount of T632-2486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T632-2486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T632-2486
  • 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 T632-2486 available by request