C800-1014 Screening compound: 2-(4-ethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-1-yl)acetic acid

C800-1014 Screening compound: 2-(4-ethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-1-yl)acetic acid
C800-1014 Screening compound: 2-(4-ethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-1-yl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-1014
2-(4-ethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-1-yl)acetic acid

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

C800-1014

Molecular Formula

C12H12N2O4 (C12 H12 N2 O4)

Compound Name

2-(4-ethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-1-yl)acetic acid

IUPAC name

2-(4-ethyl-23-dioxo-1234-tetrahydroquinoxalin-1-yl)acetic acid

SMILES

CCN(c(cccc1)c1N(CC(O)=O)C1=O)C1=O

InChI

InChI=1S/C12H12N2O4/c1-2-13-8-5-3-4-6-9(8)14(7-10(15)16)12(18)11(13)17/h3-6H,2,7H2,1H3,(H,15,16)

InChI Key

PXYVSBDRWIZCIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.24

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.273

Distribution Coefficient, logD

-4.298

Water Solubility, LogSw

-1.38

Polar Surface Area

59.175

Acid Dissociation Constant (pKa)

3.37

Base Dissociation Constant (pKb)

-2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C800-1014 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

STING Agonist Library (5895 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C800-1014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-1014?
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What is the minimum amount of C800-1014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-1014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-1014
  • 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 C800-1014 available by request