5679-0029 Screening compound: 2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide

5679-0029 Screening compound: 2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide
5679-0029 Screening compound: 2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5679-0029
2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide

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

5679-0029

Molecular Formula

C20H22N4O5 (C20 H22 N4 O5)

Compound Name

2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide

IUPAC name

2-(67-dimethyl-3-oxo-1234-tetrahydroquinoxalin-2-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide

SMILES

CCOc(cc1)cc([N+]([O-])=O)c1NC(CC1Nc(cc(C)c(C)c2)c2NC1=O)=O

InChI

InChI=1S/C20H22N4O5/c1-4-29-13-5-6-14(18(9-13)24(27)28)22-19(25)10-17-20(26)23-16-8-12(3)11(2)7-15(16)21-17/h5-9,17,21H,4,10H2,1-3H3,(H,22,25)(H,23,26)/t17-/m0/s1

InChI Key

HUCRAAIIVOHMPA-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03713652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.564

Distribution Coefficient, logD

3.400

Water Solubility, LogSw

-3.83

Polar Surface Area

99.753

Acid Dissociation Constant (pKa)

7.74

Base Dissociation Constant (pKb)

1.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

5679-0029 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 5679-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5679-0029?
Check Price and Availability of 5679-0029, 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 5679-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5679-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5679-0029
  • 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 5679-0029 available by request