G213-0405 Screening compound: methyl 3-[(4,5-dihydrothieno[2,3-g][1,2]benzisoxazol-3-ylcarbonyl)anilino]propanoate

G213-0405 Screening compound: methyl 3-[(4,5-dihydrothieno[2,3-g][1,2]benzisoxazol-3-ylcarbonyl)anilino]propanoate
G213-0405 Screening compound: methyl 3-[(4,5-dihydrothieno[2,3-g][1,2]benzisoxazol-3-ylcarbonyl)anilino]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G213-0405
methyl 3-[(4,5-dihydrothieno[2,3-g][1,2]benzisoxazol-3-ylcarbonyl)anilino]propanoate

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

G213-0405

Molecular Formula

C20H18N2O4S (C20 H18 N2 O4 S)

Compound Name

methyl 3-[(4,5-dihydrothieno[2,3-g][1,2]benzisoxazol-3-ylcarbonyl)anilino]propanoate

IUPAC name

methyl 3-(1-{3-oxa-10-thia-4-azatricyclo[7.3.0.0^{26}]dodeca-1(9)2(6)411-tetraen-5-yl}-N-phenylformamido)propanoate

SMILES

COC(CCN(C(c1noc-2c1CCc1c2ccs1)=O)c1ccccc1)=O

InChI

InChI=1S/C20H18N2O4S/c1-25-17(23)9-11-22(13-5-3-2-4-6-13)20(24)18-15-7-8-16-14(10-12-27-16)19(15)26-21-18/h2-6,10,12H,7-9,11H2,1H3

InChI Key

GZZHENRMGKJNQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14987025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.555

Distribution Coefficient, logD

3.555

Water Solubility, LogSw

-3.74

Polar Surface Area

59.518

Acid Dissociation Constant (pKa)

20.30

Base Dissociation Constant (pKb)

-3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G213-0405 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 G213-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G213-0405?
Check Price and Availability of G213-0405, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G213-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G213-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G213-0405
  • 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 G213-0405 available by request