0342-0097 Screening compound: methyl N-(1H-1,3-benzodiazol-2-yl)carbamate

0342-0097 Screening compound: methyl N-(1H-1,3-benzodiazol-2-yl)carbamate
0342-0097 Screening compound: methyl N-(1H-1,3-benzodiazol-2-yl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0342-0097
methyl N-(1H-1,3-benzodiazol-2-yl)carbamate

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

0342-0097

Molecular Formula

C9H9N3O2 (C9 H9 N3 O2)

Compound Name

methyl N-(1H-1,3-benzodiazol-2-yl)carbamate

IUPAC name

methyl N-(1H-13-benzodiazol-2-yl)carbamate

SMILES

COC(Nc1nc(cccc2)c2[nH]1)=O

InChI

InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)

InChI Key

TWFZGCMQGLPBSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00055390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

191.19

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.199

Distribution Coefficient, logD

1.199

Water Solubility, LogSw

-1.85

Polar Surface Area

52.528

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

0342-0097 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

Human Receptors Annotated Library (5376 compounds)

Launched & Clinically Evaluated Drugs Library (185 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Structure:
  • Pool
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0342-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0342-0097?
Check Price and Availability of 0342-0097, 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 0342-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0342-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0342-0097
  • 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 0342-0097 available by request