C301-7218 Screening compound: ethyl 4-(3-chlorobenzoyl)-3-oxo-3,4-dihydroquinoxaline-2-carboxylate

C301-7218 Screening compound: ethyl 4-(3-chlorobenzoyl)-3-oxo-3,4-dihydroquinoxaline-2-carboxylate
C301-7218 Screening compound: ethyl 4-(3-chlorobenzoyl)-3-oxo-3,4-dihydroquinoxaline-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-7218
ethyl 4-(3-chlorobenzoyl)-3-oxo-3,4-dihydroquinoxaline-2-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

C301-7218

Molecular Formula

C18H13ClN2O4 (C18 H13 ClN2 O4)

Compound Name

ethyl 4-(3-chlorobenzoyl)-3-oxo-3,4-dihydroquinoxaline-2-carboxylate

IUPAC name

ethyl 4-(3-chlorobenzoyl)-3-oxo-34-dihydroquinoxaline-2-carboxylate

SMILES

CCOC(C1=Nc(cccc2)c2N(C(c2cccc(Cl)c2)=O)C1=O)=O

InChI

InChI=1S/C18H13ClN2O4/c1-2-25-18(24)15-17(23)21(14-9-4-3-8-13(14)20-15)16(22)11-6-5-7-12(19)10-11/h3-10H,2H2,1H3

InChI Key

ITARZVUQRALOIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.77

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.548

Distribution Coefficient, logD

2.548

Water Solubility, LogSw

-3.23

Polar Surface Area

56.788

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C301-7218 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-7218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-7218?
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What is the minimum amount of C301-7218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-7218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-7218
  • 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 C301-7218 available by request