G213-0256 Screening compound: 4,5-dihydrothieno[2,3-g][1,2]benzisoxazol-3-yl[6,7-dimethoxy-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]methanone

G213-0256 Screening compound: 4,5-dihydrothieno[2,3-g][1,2]benzisoxazol-3-yl[6,7-dimethoxy-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]methanone
G213-0256 Screening compound: 4,5-dihydrothieno[2,3-g][1,2]benzisoxazol-3-yl[6,7-dimethoxy-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound G213-0256
4,5-dihydrothieno[2,3-g][1,2]benzisoxazol-3-yl[6,7-dimethoxy-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]methanone

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

G213-0256

Molecular Formula

C22H22N2O4S (C22 H22 N2 O4 S)

Compound Name

4,5-dihydrothieno[2,3-g][1,2]benzisoxazol-3-yl[6,7-dimethoxy-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]methanone

IUPAC name

5-(67-dimethoxy-1-methyl-1234-tetrahydroisoquinoline-2-carbonyl)-3-oxa-10-thia-4-azatricyclo[7.3.0.0^{26}]dodeca-1(9)2(6)411-tetraene

SMILES

CC(c(cc1OC)c(CC2)cc1OC)N2C(c1noc-2c1CCc1c2ccs1)=O

InChI

InChI=1S/C22H22N2O4S/c1-12-16-11-18(27-3)17(26-2)10-13(16)6-8-24(12)22(25)20-15-4-5-19-14(7-9-29-19)21(15)28-23-20/h7,9-12H,4-6,8H2,1-3H3/t12-/m0/s1

InChI Key

UWYPDHQFYOYDMR-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14986961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.426

Distribution Coefficient, logD

3.426

Water Solubility, LogSw

-3.75

Polar Surface Area

54.084

Acid Dissociation Constant (pKa)

20.30

Base Dissociation Constant (pKb)

-3.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

G213-0256 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 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 G213-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G213-0256?
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What is the minimum amount of G213-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G213-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G213-0256
  • 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 G213-0256 available by request