G805-1058 Screening compound: N-(2,3-dimethylphenyl)-2-(N-methyl3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)acetamide

G805-1058 Screening compound: N-(2,3-dimethylphenyl)-2-(N-methyl3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)acetamide
G805-1058 Screening compound: N-(2,3-dimethylphenyl)-2-(N-methyl3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G805-1058
N-(2,3-dimethylphenyl)-2-(N-methyl3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)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

G805-1058

Molecular Formula

C19H21N3O5S (C19 H21 N3 O5 S)

Compound Name

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

IUPAC name

N-(23-dimethylphenyl)-2-(N-methyl3-oxo-34-dihydro-2H-14-benzoxazine-6-sulfonamido)acetamide

SMILES

Cc1cccc(NC(CN(C)S(c(cc2)cc(N3)c2OCC3=O)(=O)=O)=O)c1C

InChI

InChI=1S/C19H21N3O5S/c1-12-5-4-6-15(13(12)2)20-18(23)10-22(3)28(25,26)14-7-8-17-16(9-14)21-19(24)11-27-17/h4-9H,10-11H2,1-3H3,(H,20,23)(H,21,24)

InChI Key

QGECOPSQAZJBSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15038097

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

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.108

Distribution Coefficient, logD

2.107

Water Solubility, LogSw

-2.97

Polar Surface Area

88.524

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

G805-1058 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G805-1058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G805-1058?
Check Price and Availability of G805-1058, 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 G805-1058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G805-1058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G805-1058
  • 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 G805-1058 available by request