G115-0302 Screening compound: 4-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl]-6-methyl-3,4-dihydro-2H-1,4-benzoxazine

G115-0302 Screening compound: 4-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl]-6-methyl-3,4-dihydro-2H-1,4-benzoxazine
G115-0302 Screening compound: 4-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl]-6-methyl-3,4-dihydro-2H-1,4-benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G115-0302
4-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl]-6-methyl-3,4-dihydro-2H-1,4-benzoxazine

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

G115-0302

Molecular Formula

C21H22N2O4S (C21 H22 N2 O4 S)

Compound Name

4-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl]-6-methyl-3,4-dihydro-2H-1,4-benzoxazine

IUPAC name

4-[5-(34-dimethyl-12-oxazol-5-yl)-2-methylbenzenesulfonyl]-6-methyl-34-dihydro-2H-14-benzoxazine

SMILES

Cc1c(-c2cc(S(N3c(cc(C)cc4)c4OCC3)(=O)=O)c(C)cc2)onc1C

InChI

InChI=1S/C21H22N2O4S/c1-13-5-8-19-18(11-13)23(9-10-26-19)28(24,25)20-12-17(7-6-14(20)2)21-15(3)16(4)22-27-21/h5-8,11-12H,9-10H2,1-4H3

InChI Key

FDVNUPRWZNGNBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14980804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.561

Distribution Coefficient, logD

4.561

Water Solubility, LogSw

-4.35

Polar Surface Area

61.687

Acid Dissociation Constant (pKa)

23.77

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G115-0302 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Nervous system
Targets:
  • Others
  • Ion Channels
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G115-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G115-0302?
Check Price and Availability of G115-0302, 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 G115-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G115-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G115-0302
  • 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 G115-0302 available by request