0180-0339 Screening compound: ethyl N-(1H-1,3-benzodiazol-2-yl)carbamate

0180-0339 Screening compound: ethyl N-(1H-1,3-benzodiazol-2-yl)carbamate
0180-0339 Screening compound: ethyl N-(1H-1,3-benzodiazol-2-yl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0180-0339
ethyl 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

0180-0339

Molecular Formula

C10H11N3O2 (C10 H11 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C10H11N3O2/c1-2-15-10(14)13-9-11-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3,(H2,11,12,13,14)

InChI Key

OKOVSTKGUBOSTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00552813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

205.22

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.663

Distribution Coefficient, logD

1.663

Water Solubility, LogSw

-2.13

Polar Surface Area

52.107

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

3.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

0180-0339 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Fragments Library (11262 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0180-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0180-0339?
Check Price and Availability of 0180-0339, 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 0180-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0180-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0180-0339
  • 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 0180-0339 available by request