T001-1680 Screening compound: N~1~-[4-(3-methylpiperidino)benzyl]-2-butynamide

T001-1680 Screening compound: N~1~-[4-(3-methylpiperidino)benzyl]-2-butynamide
T001-1680 Screening compound: N~1~-[4-(3-methylpiperidino)benzyl]-2-butynamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T001-1680
N~1~-[4-(3-methylpiperidino)benzyl]-2-butynamide

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

T001-1680

Molecular Formula

C17H22N2O (C17 H22 N2 O)

Compound Name

N~1~-[4-(3-methylpiperidino)benzyl]-2-butynamide

IUPAC name

N-{[4-(3-methylpiperidin-1-yl)phenyl]methyl}but-2-ynamide

SMILES

CC(CCC1)CN1c1ccc(CNC(C#CC)=O)cc1

InChI

InChI=1S/C17H22N2O/c1-3-5-17(20)18-12-15-7-9-16(10-8-15)19-11-4-6-14(2)13-19/h7-10,14H,4,6,11-13H2,1-2H3,(H,18,20)/t14-/m0/s1

InChI Key

HWDZGUKSEXOKST-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32259663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.242

Distribution Coefficient, logD

3.207

Water Solubility, LogSw

-3.38

Polar Surface Area

28.096

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

9.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.06

T001-1680 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Covalent Fragments Smart Library (839 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with T001-1680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T001-1680?
Check Price and Availability of T001-1680, 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 T001-1680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T001-1680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T001-1680
  • 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 T001-1680 available by request