8018-4538 Screening compound: 8-(2,3-dihydro-4H-1,4-benzoxazin-4-ylsulfonyl)-6,7-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinolin-3(2H)-one

8018-4538 Screening compound: 8-(2,3-dihydro-4H-1,4-benzoxazin-4-ylsulfonyl)-6,7-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinolin-3(2H)-one
8018-4538 Screening compound: 8-(2,3-dihydro-4H-1,4-benzoxazin-4-ylsulfonyl)-6,7-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinolin-3(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4538
8-(2,3-dihydro-4H-1,4-benzoxazin-4-ylsulfonyl)-6,7-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinolin-3(2H)-one

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

8018-4538

Molecular Formula

C19H18N2O5S (C19 H18 N2 O5 S)

Compound Name

8-(2,3-dihydro-4H-1,4-benzoxazin-4-ylsulfonyl)-6,7-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinolin-3(2H)-one

IUPAC name

8-(34-dihydro-2H-14-benzoxazine-4-sulfonyl)-4-oxa-1-azatricyclo[7.3.1.0^{513}]trideca-579(13)-trien-2-one

SMILES

O=C1N(CCCc2c(cc3)S(N4c(cccc5)c5OCC4)(=O)=O)c2c3OC1

InChI

InChI=1S/C19H18N2O5S/c22-18-12-26-16-7-8-17(13-4-3-9-20(18)19(13)16)27(23,24)21-10-11-25-15-6-2-1-5-14(15)21/h1-2,5-8H,3-4,9-12H2

InChI Key

XUFDQQUFDOCOQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.988

Distribution Coefficient, logD

1.988

Water Solubility, LogSw

-2.34

Polar Surface Area

65.029

Acid Dissociation Constant (pKa)

21.08

Base Dissociation Constant (pKb)

-3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.58

8018-4538 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-4538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4538?
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What is the minimum amount of 8018-4538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4538
  • 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 8018-4538 available by request