8016-9935 Screening compound: 1-(1H-indol-3-yl)-2-[3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]-1,2-ethanedione

8016-9935 Screening compound: 1-(1H-indol-3-yl)-2-[3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]-1,2-ethanedione
8016-9935 Screening compound: 1-(1H-indol-3-yl)-2-[3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]-1,2-ethanedione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9935
1-(1H-indol-3-yl)-2-[3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]-1,2-ethanedione

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

8016-9935

Molecular Formula

C18H13N3O3 (C18 H13 N3 O3)

Compound Name

1-(1H-indol-3-yl)-2-[3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]-1,2-ethanedione

IUPAC name

1-(1H-indol-3-yl)-2-(3-oxo-1234-tetrahydroquinoxalin-1-yl)ethane-12-dione

SMILES

O=C(C(N(C1)c(cccc2)c2NC1=O)=O)c1c[nH]c2c1cccc2

InChI

InChI=1S/C18H13N3O3/c22-16-10-21(15-8-4-3-7-14(15)20-16)18(24)17(23)12-9-19-13-6-2-1-5-11(12)13/h1-9,19H,10H2,(H,20,22)

InChI Key

BXHDUTWQGRGLCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06013277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.480

Distribution Coefficient, logD

2.480

Water Solubility, LogSw

-3.03

Polar Surface Area

63.994

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

-2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.56

8016-9935 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8016-9935 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9935?
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What is the minimum amount of 8016-9935 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9935
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9935
  • 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 8016-9935 available by request