G805-1076 Screening compound: 2-(N-methyl3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)-N-(1-phenylethyl)acetamide

G805-1076 Screening compound: 2-(N-methyl3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)-N-(1-phenylethyl)acetamide
G805-1076 Screening compound: 2-(N-methyl3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)-N-(1-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G805-1076
2-(N-methyl3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)-N-(1-phenylethyl)acetamide

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

G805-1076

Molecular Formula

C19H21N3O5S (C19 H21 N3 O5 S)

Compound Name

2-(N-methyl3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)-N-(1-phenylethyl)acetamide

IUPAC name

2-(N-methyl3-oxo-34-dihydro-2H-14-benzoxazine-6-sulfonamido)-N-(1-phenylethyl)acetamide

SMILES

CC(c1ccccc1)NC(CN(C)S(c(cc1)cc(N2)c1OCC2=O)(=O)=O)=O

InChI

InChI=1S/C19H21N3O5S/c1-13(14-6-4-3-5-7-14)20-18(23)11-22(2)28(25,26)15-8-9-17-16(10-15)21-19(24)12-27-17/h3-10,13H,11-12H2,1-2H3,(H,20,23)(H,21,24)/t13-/m0/s1

InChI Key

UUJHIOFZBYAMDD-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD15038105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.289

Distribution Coefficient, logD

1.289

Water Solubility, LogSw

-2.63

Polar Surface Area

89.707

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

G805-1076 in Drug Discovery

Included in Screening Libraries

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

SH2 Library (10483 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G805-1076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G805-1076?
Check Price and Availability of G805-1076, 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 G805-1076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G805-1076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G805-1076
  • 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 G805-1076 available by request