D011-6172 Screening compound: 2-[(prop-2-yn-1-ylsulfanyl)methyl]-1H-1,3-benzodiazole

D011-6172 Screening compound: 2-[(prop-2-yn-1-ylsulfanyl)methyl]-1H-1,3-benzodiazole
D011-6172 Screening compound: 2-[(prop-2-yn-1-ylsulfanyl)methyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-6172
2-[(prop-2-yn-1-ylsulfanyl)methyl]-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

D011-6172

Molecular Formula

C11H10N2S (C11 H10 N2 S)

Compound Name

2-[(prop-2-yn-1-ylsulfanyl)methyl]-1H-1,3-benzodiazole

IUPAC name

2-[(prop-2-yn-1-ylsulfanyl)methyl]-1H-13-benzodiazole

SMILES

C#CCSCc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C11H10N2S/c1-2-7-14-8-11-12-9-5-3-4-6-10(9)13-11/h1,3-6H,7-8H2,(H,12,13)

InChI Key

KMQVUBYXAKTOSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07537039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

202.28

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

2.881

Distribution Coefficient, logD

2.874

Water Solubility, LogSw

-3.02

Polar Surface Area

20.520

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D011-6172 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D011-6172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-6172?
Check Price and Availability of D011-6172, 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 D011-6172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-6172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-6172
  • 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 D011-6172 available by request