G213-0387 Screening compound: N~3~-[4-(piperidinomethyl)phenyl]-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide

G213-0387 Screening compound: N~3~-[4-(piperidinomethyl)phenyl]-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide
G213-0387 Screening compound: N~3~-[4-(piperidinomethyl)phenyl]-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G213-0387
N~3~-[4-(piperidinomethyl)phenyl]-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

G213-0387

Molecular Formula

C22H23N3O2S (C22 H23 N3 O2 S)

Compound Name

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

IUPAC name

N-{4-[(piperidin-1-yl)methyl]phenyl}-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)Nc1ccc(CN2CCCCC2)cc1

InChI

InChI=1S/C22H23N3O2S/c26-22(20-18-8-9-19-17(10-13-28-19)21(18)27-24-20)23-16-6-4-15(5-7-16)14-25-11-2-1-3-12-25/h4-7,10,13H,1-3,8-9,11-12,14H2,(H,23,26)

InChI Key

SJCWHAFPZIYNGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14987019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.295

Distribution Coefficient, logD

2.713

Water Solubility, LogSw

-4.17

Polar Surface Area

50.161

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

8.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

G213-0387 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous 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 G213-0387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G213-0387?
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What is the minimum amount of G213-0387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G213-0387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G213-0387
  • 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 G213-0387 available by request