G213-0197 Screening compound: N~3~-(2,5-dimethoxybenzyl)-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide

G213-0197 Screening compound: N~3~-(2,5-dimethoxybenzyl)-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide
G213-0197 Screening compound: N~3~-(2,5-dimethoxybenzyl)-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G213-0197
N~3~-(2,5-dimethoxybenzyl)-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

G213-0197

Molecular Formula

C19H18N2O4S (C19 H18 N2 O4 S)

Compound Name

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

IUPAC name

N-[(25-dimethoxyphenyl)methyl]-3-oxa-10-thia-4-azatricyclo[7.3.0.0^{26}]dodeca-1(9)2(6)411-tetraene-5-carboxamide

SMILES

COc(cc1)cc(CNC(c2noc-3c2CCc2c3ccs2)=O)c1OC

InChI

InChI=1S/C19H18N2O4S/c1-23-12-3-5-15(24-2)11(9-12)10-20-19(22)17-14-4-6-16-13(7-8-26-16)18(14)25-21-17/h3,5,7-9H,4,6,10H2,1-2H3,(H,20,22)

InChI Key

ZBTJPTGZJUWJCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14986927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.637

Distribution Coefficient, logD

3.637

Water Solubility, LogSw

-4.12

Polar Surface Area

62.925

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

G213-0197 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G213-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G213-0197?
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What is the minimum amount of G213-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G213-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G213-0197
  • 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 G213-0197 available by request