G805-0804 Screening compound: 6-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

G805-0804 Screening compound: 6-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
G805-0804 Screening compound: 6-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G805-0804
6-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-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

G805-0804

Molecular Formula

C16H22ClN3O4S (C16 H22 ClN3 O4 S)

Compound Name

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

IUPAC name

6-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-oxo-34-dihydro-2H-14-benzoxazine-7-sulfonamide

SMILES

CC1N(CCNS(c(cc(c(N2)c3)OCC2=O)c3Cl)(=O)=O)CCCC1

InChI

InChI=1S/C16H22ClN3O4S/c1-11-4-2-3-6-20(11)7-5-18-25(22,23)15-9-14-13(8-12(15)17)19-16(21)10-24-14/h8-9,11,18H,2-7,10H2,1H3,(H,19,21)/t11-/m0/s1

InChI Key

DFECSHMKDNNUIR-NSHDSACASA-N

MDL Number (MFCD)

MFCD15038001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.89

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.583

Distribution Coefficient, logD

0.582

Water Solubility, LogSw

-2.94

Polar Surface Area

78.542

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

8.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.25

G805-0804 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

KRAS-Targeted Library (16000 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with G805-0804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G805-0804?
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What is the minimum amount of G805-0804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G805-0804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G805-0804
  • 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 G805-0804 available by request