C209-0208 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxo-2-(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

C209-0208 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxo-2-(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
C209-0208 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxo-2-(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C209-0208
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxo-2-(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

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

C209-0208

Molecular Formula

C22H27N3O4 (C22 H27 N3 O4)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxo-2-(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-3-oxo-2-(propan-2-yl)-1234-tetrahydroquinoxaline-6-carboxamide

SMILES

CC(C)C1Nc(ccc(C(NCCc(cc2)cc(OC)c2OC)=O)c2)c2NC1=O

InChI

InChI=1S/C22H27N3O4/c1-13(2)20-22(27)25-17-12-15(6-7-16(17)24-20)21(26)23-10-9-14-5-8-18(28-3)19(11-14)29-4/h5-8,11-13,20,24H,9-10H2,1-4H3,(H,23,26)(H,25,27)/t20-/m0/s1

InChI Key

ICRITCQEQAJMGO-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14732242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.210

Distribution Coefficient, logD

2.210

Water Solubility, LogSw

-2.94

Polar Surface Area

76.779

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

C209-0208 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C209-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C209-0208?
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What is the minimum amount of C209-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C209-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C209-0208
  • 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 C209-0208 available by request