G213-0126 Screening compound: N~3~-(5-chloro-2-methoxyphenyl)-N~3~-methyl-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide

G213-0126 Screening compound: N~3~-(5-chloro-2-methoxyphenyl)-N~3~-methyl-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide
G213-0126 Screening compound: N~3~-(5-chloro-2-methoxyphenyl)-N~3~-methyl-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G213-0126
N~3~-(5-chloro-2-methoxyphenyl)-N~3~-methyl-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide

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

G213-0126

Molecular Formula

C18H15ClN2O3S (C18 H15 ClN2 O3 S)

Compound Name

N~3~-(5-chloro-2-methoxyphenyl)-N~3~-methyl-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide

IUPAC name

N-(5-chloro-2-methoxyphenyl)-N-methyl-3-oxa-10-thia-4-azatricyclo[7.3.0.0^{26}]dodeca-1(9)2(6)411-tetraene-5-carboxamide

SMILES

CN(C(c1noc-2c1CCc1c2ccs1)=O)c(cc(cc1)Cl)c1OC

InChI

InChI=1S/C18H15ClN2O3S/c1-21(13-9-10(19)3-5-14(13)23-2)18(22)16-12-4-6-15-11(7-8-25-15)17(12)24-20-16/h3,5,7-9H,4,6H2,1-2H3

InChI Key

GEZCXQVJPITRKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14986883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.015

Distribution Coefficient, logD

4.015

Water Solubility, LogSw

-4.58

Polar Surface Area

46.036

Acid Dissociation Constant (pKa)

20.30

Base Dissociation Constant (pKb)

-3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

G213-0126 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G213-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G213-0126?
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What is the minimum amount of G213-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G213-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G213-0126
  • 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 G213-0126 available by request