1714-0052 Screening compound: 2-(methylsulfanyl)-4,5-dihydro-1H-imidazole

1714-0052 Screening compound: 2-(methylsulfanyl)-4,5-dihydro-1H-imidazole
1714-0052 Screening compound: 2-(methylsulfanyl)-4,5-dihydro-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1714-0052
2-(methylsulfanyl)-4,5-dihydro-1H-imidazole

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

1714-0052

Molecular Formula

C4H8N2S (C4 H8 N2 S)

Compound Name

2-(methylsulfanyl)-4,5-dihydro-1H-imidazole

IUPAC name

2-(methylsulfanyl)-45-dihydro-1H-imidazole

SMILES

CSC1=NCCN1

InChI

InChI=1S/C4H8N2S/c1-7-4-5-2-3-6-4/h2-3H2,1H3,(H,5,6)

InChI Key

MTIMDGQILFWMJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00065015

Chemical and Physical Properties

Saltdata

HI

Molecular Weight

116.19

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

0.856

Distribution Coefficient, logD

-0.094

Water Solubility, LogSw

-1.26

Polar Surface Area

22.235

Acid Dissociation Constant (pKa)

14.26

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

75.00

1714-0052 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 1714-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1714-0052?
Check Price and Availability of 1714-0052, 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 1714-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1714-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1714-0052
  • 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 1714-0052 available by request