0272-0009 Screening compound: 2-(prop-2-en-1-ylsulfanyl)-1H-1,3-benzodiazole

0272-0009 Screening compound: 2-(prop-2-en-1-ylsulfanyl)-1H-1,3-benzodiazole
0272-0009 Screening compound: 2-(prop-2-en-1-ylsulfanyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0272-0009
2-(prop-2-en-1-ylsulfanyl)-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

0272-0009

Molecular Formula

C10H10N2S (C10 H10 N2 S)

Compound Name

2-(prop-2-en-1-ylsulfanyl)-1H-1,3-benzodiazole

IUPAC name

2-(prop-2-en-1-ylsulfanyl)-1H-13-benzodiazole

SMILES

C=CCSc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C10H10N2S/c1-2-7-13-10-11-8-5-3-4-6-9(8)12-10/h2-6H,1,7H2,(H,11,12)

InChI Key

JHJHDEZWUNCTQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00124393

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

190.27

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.701

Distribution Coefficient, logD

2.699

Water Solubility, LogSw

-2.84

Polar Surface Area

18.251

Acid Dissociation Constant (pKa)

13.56

Base Dissociation Constant (pKb)

4.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

0272-0009 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0272-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0272-0009?
Check Price and Availability of 0272-0009, 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 0272-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0272-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0272-0009
  • 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 0272-0009 available by request