5222-0119 Screening compound: ethyl 4-[2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]benzoate

5222-0119 Screening compound: ethyl 4-[2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]benzoate
5222-0119 Screening compound: ethyl 4-[2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5222-0119
ethyl 4-[2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]benzoate

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

5222-0119

Molecular Formula

C21H23N3O4 (C21 H23 N3 O4)

Compound Name

ethyl 4-[2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]benzoate

IUPAC name

ethyl 4-[2-(67-dimethyl-3-oxo-1234-tetrahydroquinoxalin-2-yl)acetamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(CC1Nc(cc(C)c(C)c2)c2NC1=O)=O)=O

InChI

InChI=1S/C21H23N3O4/c1-4-28-21(27)14-5-7-15(8-6-14)22-19(25)11-18-20(26)24-17-10-13(3)12(2)9-16(17)23-18/h5-10,18,23H,4,11H2,1-3H3,(H,22,25)(H,24,26)/t18-/m0/s1

InChI Key

JUQSCOYTZPHGHL-SFHVURJKSA-N

MDL Number (MFCD)

MFCD02970494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.634

Distribution Coefficient, logD

3.633

Water Solubility, LogSw

-3.74

Polar Surface Area

81.001

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

5222-0119 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 5222-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5222-0119?
Check Price and Availability of 5222-0119, 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 5222-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5222-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5222-0119
  • 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 5222-0119 available by request