0082-0009 Screening compound: 2-(1-methyl-1H-1,3-benzodiazol-2-yl)acetonitrile

0082-0009 Screening compound: 2-(1-methyl-1H-1,3-benzodiazol-2-yl)acetonitrile
0082-0009 Screening compound: 2-(1-methyl-1H-1,3-benzodiazol-2-yl)acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 0082-0009
2-(1-methyl-1H-1,3-benzodiazol-2-yl)acetonitrile

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

0082-0009

Molecular Formula

C10H9N3 (C10 H9 N3)

Compound Name

2-(1-methyl-1H-1,3-benzodiazol-2-yl)acetonitrile

IUPAC name

2-(1-methyl-1H-13-benzodiazol-2-yl)acetonitrile

SMILES

Cn1c(cccc2)c2nc1CC#N

InChI

InChI=1S/C10H9N3/c1-13-9-5-3-2-4-8(9)12-10(13)6-7-11/h2-5H,6H2,1H3

InChI Key

DYWFJPNNNWXOAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00227239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

171.2

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.348

Distribution Coefficient, logD

1.345

Water Solubility, LogSw

-0.90

Polar Surface Area

29.717

Acid Dissociation Constant (pKa)

24.88

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

0082-0009 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 0082-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0082-0009?
Check Price and Availability of 0082-0009, 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 0082-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0082-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0082-0009
  • 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 0082-0009 available by request