G213-0057 Screening compound: N~3~-cycloheptyl-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide

G213-0057 Screening compound: N~3~-cycloheptyl-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide
G213-0057 Screening compound: N~3~-cycloheptyl-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G213-0057
N~3~-cycloheptyl-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

G213-0057

Molecular Formula

C17H20N2O2S (C17 H20 N2 O2 S)

Compound Name

N~3~-cycloheptyl-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide

IUPAC name

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

SMILES

O=C(c1noc-2c1CCc1c2ccs1)NC1CCCCCC1

InChI

InChI=1S/C17H20N2O2S/c20-17(18-11-5-3-1-2-4-6-11)15-13-7-8-14-12(9-10-22-14)16(13)21-19-15/h9-11H,1-8H2,(H,18,20)

InChI Key

LOEUSZGEVRTQQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14986849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.42

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

4.229

Distribution Coefficient, logD

4.229

Water Solubility, LogSw

-4.35

Polar Surface Area

47.807

Acid Dissociation Constant (pKa)

14.35

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

G213-0057 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G213-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G213-0057?
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What is the minimum amount of G213-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G213-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G213-0057
  • 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 G213-0057 available by request