G213-0171 Screening compound: ethyl 3-[(4,5-dihydrothieno[2,3-g][1,2]benzisoxazol-3-ylcarbonyl)amino]benzoate

G213-0171 Screening compound: ethyl 3-[(4,5-dihydrothieno[2,3-g][1,2]benzisoxazol-3-ylcarbonyl)amino]benzoate
G213-0171 Screening compound: ethyl 3-[(4,5-dihydrothieno[2,3-g][1,2]benzisoxazol-3-ylcarbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G213-0171
ethyl 3-[(4,5-dihydrothieno[2,3-g][1,2]benzisoxazol-3-ylcarbonyl)amino]benzoate

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

G213-0171

Molecular Formula

C19H16N2O4S (C19 H16 N2 O4 S)

Compound Name

ethyl 3-[(4,5-dihydrothieno[2,3-g][1,2]benzisoxazol-3-ylcarbonyl)amino]benzoate

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H16N2O4S/c1-2-24-19(23)11-4-3-5-12(10-11)20-18(22)16-14-6-7-15-13(8-9-26-15)17(14)25-21-16/h3-5,8-10H,2,6-7H2,1H3,(H,20,22)

InChI Key

BZFKNPOMLSVCJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14986913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.628

Distribution Coefficient, logD

4.628

Water Solubility, LogSw

-4.42

Polar Surface Area

67.183

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

-4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

G213-0171 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G213-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G213-0171?
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What is the minimum amount of G213-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G213-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G213-0171
  • 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 G213-0171 available by request