8002-9918 Screening compound: ethyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate

8002-9918 Screening compound: ethyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate
8002-9918 Screening compound: ethyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-9918
ethyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate

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

8002-9918

Molecular Formula

C10H8ClNO4 (C10 H8 ClNO4)

Compound Name

ethyl 6-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate

IUPAC name

ethyl 6-chloro-2-oxo-23-dihydro-13-benzoxazole-3-carboxylate

SMILES

CCOC(N(c(ccc(Cl)c1)c1O1)C1=O)=O

InChI

InChI=1S/C10H8ClNO4/c1-2-15-9(13)12-7-4-3-6(11)5-8(7)16-10(12)14/h3-5H,2H2,1H3

InChI Key

DLVDJPBJEBSUPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00455872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

241.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.463

Distribution Coefficient, logD

2.463

Water Solubility, LogSw

-3.25

Polar Surface Area

41.975

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

-4.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8002-9918 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

GABA Library (7115 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Eye
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 8002-9918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-9918?
Check Price and Availability of 8002-9918, 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 8002-9918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-9918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-9918
  • 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 8002-9918 available by request