G805-1079 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-(N-methyl3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)acetamide

G805-1079 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-(N-methyl3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)acetamide
G805-1079 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-(N-methyl3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G805-1079
N-(3-chloro-4-methoxyphenyl)-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

G805-1079

Molecular Formula

C18H18ClN3O6S (C18 H18 ClN3 O6 S)

Compound Name

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

IUPAC name

N-(3-chloro-4-methoxyphenyl)-2-(N-methyl3-oxo-34-dihydro-2H-14-benzoxazine-6-sulfonamido)acetamide

SMILES

CN(CC(Nc(cc1)cc(Cl)c1OC)=O)S(c(cc1)cc(N2)c1OCC2=O)(=O)=O

InChI

InChI=1S/C18H18ClN3O6S/c1-22(9-17(23)20-11-3-5-15(27-2)13(19)7-11)29(25,26)12-4-6-16-14(8-12)21-18(24)10-28-16/h3-8H,9-10H2,1-2H3,(H,20,23)(H,21,24)

InChI Key

PLARUPDGVQXBLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15038108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.88

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.988

Distribution Coefficient, logD

1.985

Water Solubility, LogSw

-3.01

Polar Surface Area

96.853

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with G805-1079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G805-1079?
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What is the minimum amount of G805-1079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G805-1079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G805-1079
  • 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 G805-1079 available by request