2212-0016 Screening compound: 2-(butylsulfanyl)-1H-1,3-benzodiazole

2212-0016 Screening compound: 2-(butylsulfanyl)-1H-1,3-benzodiazole
2212-0016 Screening compound: 2-(butylsulfanyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2212-0016
2-(butylsulfanyl)-1H-1,3-benzodiazole

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

2212-0016

Molecular Formula

C11H14N2S (C11 H14 N2 S)

Compound Name

2-(butylsulfanyl)-1H-1,3-benzodiazole

IUPAC name

2-(butylsulfanyl)-1H-13-benzodiazole

SMILES

CCCCSc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C11H14N2S/c1-2-3-8-14-11-12-9-6-4-5-7-10(9)13-11/h4-7H,2-3,8H2,1H3,(H,12,13)

InChI Key

DPLUNLDZRABSMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00225184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

206.31

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.489

Distribution Coefficient, logD

3.486

Water Solubility, LogSw

-3.67

Polar Surface Area

18.251

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

2212-0016 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2212-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2212-0016?
Check Price and Availability of 2212-0016, 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 2212-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2212-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2212-0016
  • 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 2212-0016 available by request