8018-6593 Screening compound: 3-oxo-N~8~-(tetrahydro-2-furanylmethyl)-2,3,6,7-tetrahydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-8-sulfonamide

8018-6593 Screening compound: 3-oxo-N~8~-(tetrahydro-2-furanylmethyl)-2,3,6,7-tetrahydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-8-sulfonamide
8018-6593 Screening compound: 3-oxo-N~8~-(tetrahydro-2-furanylmethyl)-2,3,6,7-tetrahydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-8-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6593
3-oxo-N~8~-(tetrahydro-2-furanylmethyl)-2,3,6,7-tetrahydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-8-sulfonamide

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

8018-6593

Molecular Formula

C16H20N2O5S (C16 H20 N2 O5 S)

Compound Name

3-oxo-N~8~-(tetrahydro-2-furanylmethyl)-2,3,6,7-tetrahydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-8-sulfonamide

IUPAC name

2-oxo-N-[(oxolan-2-yl)methyl]-4-oxa-1-azatricyclo[7.3.1.0^{513}]trideca-579(13)-triene-8-sulfonamide

SMILES

O=C1N(CCCc2c(cc3)S(NCC4OCCC4)(=O)=O)c2c3OC1

InChI

InChI=1S/C16H20N2O5S/c19-15-10-23-13-5-6-14(12-4-1-7-18(15)16(12)13)24(20,21)17-9-11-3-2-8-22-11/h5-6,11,17H,1-4,7-10H2/t11-/m1/s1

InChI Key

QUAIOSHGDDIKTJ-LLVKDONJSA-N

MDL Number (MFCD)

MFCD08142236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.745

Distribution Coefficient, logD

0.745

Water Solubility, LogSw

-2.26

Polar Surface Area

76.337

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

-2.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

8018-6593 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-6593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6593?
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What is the minimum amount of 8018-6593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6593
  • 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 8018-6593 available by request