G008-3689 Screening compound: 2-methoxy-5-(3-methyl-5-isoxazolyl)phenyl (2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl) sulfone

G008-3689 Screening compound: 2-methoxy-5-(3-methyl-5-isoxazolyl)phenyl (2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl) sulfone
G008-3689 Screening compound: 2-methoxy-5-(3-methyl-5-isoxazolyl)phenyl (2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-3689
2-methoxy-5-(3-methyl-5-isoxazolyl)phenyl (2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl) sulfone

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

G008-3689

Molecular Formula

C20H20N2O5S (C20 H20 N2 O5 S)

Compound Name

2-methoxy-5-(3-methyl-5-isoxazolyl)phenyl (2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl) sulfone

IUPAC name

n/a

SMILES

CC(C1)Oc(cccc2)c2N1S(c(cc(cc1)-c2cc(C)no2)c1OC)(=O)=O

InChI

InChI=1S/C20H20N2O5S/c1-13-10-19(27-21-13)15-8-9-18(25-3)20(11-15)28(23,24)22-12-14(2)26-17-7-5-4-6-16(17)22/h4-11,14H,12H2,1-3H3/t14-/m1/s1

InChI Key

RHHQKJLXADPOGK-CQSZACIVSA-N

MDL Number (MFCD)

MFCD14975841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.432

Distribution Coefficient, logD

3.432

Water Solubility, LogSw

-3.79

Polar Surface Area

67.411

Acid Dissociation Constant (pKa)

25.24

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

G008-3689 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G008-3689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-3689?
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What is the minimum amount of G008-3689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-3689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-3689
  • 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 G008-3689 available by request