G213-0411 Screening compound: N~3~-(3-chloro-2-methylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide

G213-0411 Screening compound: N~3~-(3-chloro-2-methylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide
G213-0411 Screening compound: N~3~-(3-chloro-2-methylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G213-0411
N~3~-(3-chloro-2-methylphenyl)-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

G213-0411

Molecular Formula

C17H13ClN2O2S (C17 H13 ClN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(NC(c1noc-2c1CCc1c2ccs1)=O)ccc1)c1Cl

InChI

InChI=1S/C17H13ClN2O2S/c1-9-12(18)3-2-4-13(9)19-17(21)15-11-5-6-14-10(7-8-23-14)16(11)22-20-15/h2-4,7-8H,5-6H2,1H3,(H,19,21)

InChI Key

OWIPRNWZJGPQCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14987029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.851

Distribution Coefficient, logD

4.850

Water Solubility, LogSw

-4.80

Polar Surface Area

45.731

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

G213-0411 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • 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 G213-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G213-0411?
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What is the minimum amount of G213-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G213-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G213-0411
  • 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 G213-0411 available by request