T001-2050 Screening compound: N~1~-(3-methoxypropyl)-N~1~-(2-thienylmethyl)-2-butynamide

T001-2050 Screening compound: N~1~-(3-methoxypropyl)-N~1~-(2-thienylmethyl)-2-butynamide
T001-2050 Screening compound: N~1~-(3-methoxypropyl)-N~1~-(2-thienylmethyl)-2-butynamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T001-2050
N~1~-(3-methoxypropyl)-N~1~-(2-thienylmethyl)-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

T001-2050

Molecular Formula

C13H17NO2S (C13 H17 NO2 S)

Compound Name

N~1~-(3-methoxypropyl)-N~1~-(2-thienylmethyl)-2-butynamide

IUPAC name

N-(3-methoxypropyl)-N-[(thiophen-2-yl)methyl]but-2-ynamide

SMILES

CC#CC(N(CCCOC)Cc1cccs1)=O

InChI

InChI=1S/C13H17NO2S/c1-3-6-13(15)14(8-5-9-16-2)11-12-7-4-10-17-12/h4,7,10H,5,8-9,11H2,1-2H3

InChI Key

ARFVNIQRYOIOTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32261388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.441

Distribution Coefficient, logD

2.441

Water Solubility, LogSw

-2.49

Polar Surface Area

25.533

Acid Dissociation Constant (pKa)

27.67

Base Dissociation Constant (pKb)

-4.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

T001-2050 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 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 T001-2050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T001-2050?
Check Price and Availability of T001-2050, 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 T001-2050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T001-2050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T001-2050
  • 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 T001-2050 available by request