0133-0082 Screening compound: 2-ethyl-1H-1,3-benzodiazole

0133-0082 Screening compound: 2-ethyl-1H-1,3-benzodiazole
0133-0082 Screening compound: 2-ethyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0133-0082
2-ethyl-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

0133-0082

Molecular Formula

C9H10N2 (C9 H10 N2)

Compound Name

2-ethyl-1H-1,3-benzodiazole

IUPAC name

2-ethyl-1H-13-benzodiazole

SMILES

CCc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C9H10N2/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3,(H,10,11)

InChI Key

QHCCOYAKYCWDOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00022684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

146.19

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.389

Distribution Coefficient, logD

2.360

Water Solubility, LogSw

-2.38

Polar Surface Area

20.520

Acid Dissociation Constant (pKa)

13.73

Base Dissociation Constant (pKb)

6.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

0133-0082 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Fragments
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 0133-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0133-0082?
Check Price and Availability of 0133-0082, 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 0133-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0133-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0133-0082
  • 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 0133-0082 available by request