G213-0169 Screening compound: N~3~-[3-(2-oxo-1-pyrrolidinyl)propyl]-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide

G213-0169 Screening compound: N~3~-[3-(2-oxo-1-pyrrolidinyl)propyl]-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide
G213-0169 Screening compound: N~3~-[3-(2-oxo-1-pyrrolidinyl)propyl]-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G213-0169
N~3~-[3-(2-oxo-1-pyrrolidinyl)propyl]-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

G213-0169

Molecular Formula

C17H19N3O3S (C17 H19 N3 O3 S)

Compound Name

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

IUPAC name

N-[3-(2-oxopyrrolidin-1-yl)propyl]-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)NCCCN(CCC1)C1=O

InChI

InChI=1S/C17H19N3O3S/c21-14-3-1-8-20(14)9-2-7-18-17(22)15-12-4-5-13-11(6-10-24-13)16(12)23-19-15/h6,10H,1-5,7-9H2,(H,18,22)

InChI Key

MKJPEFICEPRNIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14986912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.42

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

1.261

Distribution Coefficient, logD

1.261

Water Solubility, LogSw

-2.30

Polar Surface Area

65.105

Acid Dissociation Constant (pKa)

15.05

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

G213-0169 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G213-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G213-0169?
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What is the minimum amount of G213-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G213-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G213-0169
  • 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 G213-0169 available by request