8009-8002 Screening compound: 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid

8009-8002 Screening compound: 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid
8009-8002 Screening compound: 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-8002
3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic 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

8009-8002

Molecular Formula

C11H10N2O3 (C11 H10 N2 O3)

Compound Name

3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid

IUPAC name

3-(3-oxo-34-dihydroquinoxalin-2-yl)propanoic acid

SMILES

OC(CCC1=Nc(cccc2)c2NC1=O)=O

InChI

InChI=1S/C11H10N2O3/c14-10(15)6-5-9-11(16)13-8-4-2-1-3-7(8)12-9/h1-4H,5-6H2,(H,13,16)(H,14,15)

InChI Key

HROJWOXFEZYMGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01820403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.611

Distribution Coefficient, logD

-2.048

Water Solubility, LogSw

-1.91

Polar Surface Area

61.512

Acid Dissociation Constant (pKa)

4.74

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

8009-8002 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8009-8002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-8002?
Check Price and Availability of 8009-8002, 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 8009-8002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-8002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-8002
  • 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 8009-8002 available by request