E204-0095 Screening compound: 1-[6-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]ethan-1-one

E204-0095 Screening compound: 1-[6-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]ethan-1-one
E204-0095 Screening compound: 1-[6-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E204-0095
1-[6-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]ethan-1-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

E204-0095

Molecular Formula

C19H20N2O4S (C19 H20 N2 O4 S)

Compound Name

1-[6-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]ethan-1-one

IUPAC name

1-[6-(1234-tetrahydroquinoline-1-sulfonyl)-34-dihydro-2H-14-benzoxazin-4-yl]ethan-1-one

SMILES

CC(N1c(cc(cc2)S(N(CCC3)c4c3cccc4)(=O)=O)c2OCC1)=O

InChI

InChI=1S/C19H20N2O4S/c1-14(22)20-11-12-25-19-9-8-16(13-18(19)20)26(23,24)21-10-4-6-15-5-2-3-7-17(15)21/h2-3,5,7-9,13H,4,6,10-12H2,1H3

InChI Key

FVHGRUUDZKMUDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14845774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.509

Distribution Coefficient, logD

2.509

Water Solubility, LogSw

-2.74

Polar Surface Area

55.394

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

-3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

E204-0095 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E204-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E204-0095?
Check Price and Availability of E204-0095, 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 E204-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E204-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E204-0095
  • 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 E204-0095 available by request