G805-0634 Screening compound: 6-chloro-7-[(2-methylpiperidin-1-yl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

G805-0634 Screening compound: 6-chloro-7-[(2-methylpiperidin-1-yl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one
G805-0634 Screening compound: 6-chloro-7-[(2-methylpiperidin-1-yl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G805-0634
6-chloro-7-[(2-methylpiperidin-1-yl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-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

G805-0634

Molecular Formula

C14H17ClN2O4S (C14 H17 ClN2 O4 S)

Compound Name

6-chloro-7-[(2-methylpiperidin-1-yl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-chloro-7-[(2-methylpiperidin-1-yl)sulfonyl]-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CC(CCCC1)N1S(c(cc(c(N1)c2)OCC1=O)c2Cl)(=O)=O

InChI

InChI=1S/C14H17ClN2O4S/c1-9-4-2-3-5-17(9)22(19,20)13-7-12-11(6-10(13)15)16-14(18)8-21-12/h6-7,9H,2-5,8H2,1H3,(H,16,18)/t9-/m0/s1

InChI Key

ZXUIAZGHBDKUDH-VIFPVBQESA-N

MDL Number (MFCD)

MFCD15037966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.82

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.918

Distribution Coefficient, logD

1.860

Water Solubility, LogSw

-2.99

Polar Surface Area

65.281

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

G805-0634 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

KRAS-Targeted Library (16000 compounds)

Targeted Diversity Library (40567 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G805-0634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G805-0634?
Check Price and Availability of G805-0634, 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 G805-0634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G805-0634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G805-0634
  • 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 G805-0634 available by request