G213-0419 Screening compound: N~3~-(3-methylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide

G213-0419 Screening compound: N~3~-(3-methylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide
G213-0419 Screening compound: N~3~-(3-methylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G213-0419
N~3~-(3-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

G213-0419

Molecular Formula

C17H14N2O2S (C17 H14 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(NC(c2noc-3c2CCc2c3ccs2)=O)c1

InChI

InChI=1S/C17H14N2O2S/c1-10-3-2-4-11(9-10)18-17(20)15-13-5-6-14-12(7-8-22-14)16(13)21-19-15/h2-4,7-9H,5-6H2,1H3,(H,18,20)

InChI Key

JNKKZPOQMRKTNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14987035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.38

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

4.206

Distribution Coefficient, logD

4.206

Water Solubility, LogSw

-4.35

Polar Surface Area

46.429

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

G213-0419 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 G213-0419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G213-0419?
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What is the minimum amount of G213-0419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G213-0419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G213-0419
  • 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 G213-0419 available by request