G805-1069 Screening compound: N-(4-ethylphenyl)-2-(N-methyl3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)acetamide

G805-1069 Screening compound: N-(4-ethylphenyl)-2-(N-methyl3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)acetamide
G805-1069 Screening compound: N-(4-ethylphenyl)-2-(N-methyl3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G805-1069
N-(4-ethylphenyl)-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

G805-1069

Molecular Formula

C19H21N3O5S (C19 H21 N3 O5 S)

Compound Name

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

IUPAC name

N-(4-ethylphenyl)-2-(N-methyl3-oxo-34-dihydro-2H-14-benzoxazine-6-sulfonamido)acetamide

SMILES

CCc(cc1)ccc1NC(CN(C)S(c(cc1)cc(N2)c1OCC2=O)(=O)=O)=O

InChI

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

InChI Key

ARHXPWAKQXIRSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15038101

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

2.408

Distribution Coefficient, logD

2.408

Water Solubility, LogSw

-3.06

Polar Surface Area

89.222

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

G805-1069 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 G805-1069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G805-1069?
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What is the minimum amount of G805-1069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G805-1069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G805-1069
  • 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 G805-1069 available by request