G805-0566 Screening compound: N-[2-(dimethylamino)ethyl]-6-methyl-3-oxo-N-[(thiophen-2-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

G805-0566 Screening compound: N-[2-(dimethylamino)ethyl]-6-methyl-3-oxo-N-[(thiophen-2-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
G805-0566 Screening compound: N-[2-(dimethylamino)ethyl]-6-methyl-3-oxo-N-[(thiophen-2-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G805-0566
N-[2-(dimethylamino)ethyl]-6-methyl-3-oxo-N-[(thiophen-2-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-7-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

G805-0566

Molecular Formula

C18H23N3O4S2 (C18 H23 N3 O4 S2)

Compound Name

N-[2-(dimethylamino)ethyl]-6-methyl-3-oxo-N-[(thiophen-2-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

IUPAC name

N-[2-(dimethylamino)ethyl]-6-methyl-3-oxo-N-[(thiophen-2-yl)methyl]-34-dihydro-2H-14-benzoxazine-7-sulfonamide

SMILES

Cc(cc(c(OC1)c2)NC1=O)c2S(N(CCN(C)C)Cc1cccs1)(=O)=O

InChI

InChI=1S/C18H23N3O4S2/c1-13-9-15-16(25-12-18(22)19-15)10-17(13)27(23,24)21(7-6-20(2)3)11-14-5-4-8-26-14/h4-5,8-10H,6-7,11-12H2,1-3H3,(H,19,22)

InChI Key

ZPSFKLITMFHSAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15037952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.797

Distribution Coefficient, logD

1.237

Water Solubility, LogSw

-2.73

Polar Surface Area

69.746

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

7.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

G805-0566 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G805-0566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G805-0566?
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What is the minimum amount of G805-0566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G805-0566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G805-0566
  • 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 G805-0566 available by request