G213-0241 Screening compound: N~3~-(3-acetylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide

G213-0241 Screening compound: N~3~-(3-acetylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide
G213-0241 Screening compound: N~3~-(3-acetylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G213-0241
N~3~-(3-acetylphenyl)-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

G213-0241

Molecular Formula

C18H14N2O3S (C18 H14 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(c1cccc(NC(c2noc-3c2CCc2c3ccs2)=O)c1)=O

InChI

InChI=1S/C18H14N2O3S/c1-10(21)11-3-2-4-12(9-11)19-18(22)16-14-5-6-15-13(7-8-24-15)17(14)23-20-16/h2-4,7-9H,5-6H2,1H3,(H,19,22)

InChI Key

CPOJJTNNSPQTMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14986953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.587

Distribution Coefficient, logD

3.586

Water Solubility, LogSw

-3.88

Polar Surface Area

60.256

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

-4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G213-0241 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G213-0241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G213-0241?
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What is the minimum amount of G213-0241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G213-0241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G213-0241
  • 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 G213-0241 available by request