G805-0568 Screening compound: N-{[4-(diethylamino)phenyl]methyl}-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

G805-0568 Screening compound: N-{[4-(diethylamino)phenyl]methyl}-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
G805-0568 Screening compound: N-{[4-(diethylamino)phenyl]methyl}-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G805-0568
N-{[4-(diethylamino)phenyl]methyl}-6-methyl-3-oxo-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

G805-0568

Molecular Formula

C20H25N3O4S (C20 H25 N3 O4 S)

Compound Name

N-{[4-(diethylamino)phenyl]methyl}-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

IUPAC name

N-{[4-(diethylamino)phenyl]methyl}-6-methyl-3-oxo-34-dihydro-2H-14-benzoxazine-7-sulfonamide

SMILES

CCN(CC)c1ccc(CNS(c(cc2OC3)c(C)cc2NC3=O)(=O)=O)cc1

InChI

InChI=1S/C20H25N3O4S/c1-4-23(5-2)16-8-6-15(7-9-16)12-21-28(25,26)19-11-18-17(10-14(19)3)22-20(24)13-27-18/h6-11,21H,4-5,12-13H2,1-3H3,(H,22,24)

InChI Key

SHEVLSJCKAMBFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15037954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.705

Distribution Coefficient, logD

2.483

Water Solubility, LogSw

-3.15

Polar Surface Area

78.003

Acid Dissociation Constant (pKa)

10.02

Base Dissociation Constant (pKb)

9.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

G805-0568 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G805-0568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G805-0568?
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What is the minimum amount of G805-0568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G805-0568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G805-0568
  • 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 G805-0568 available by request