G213-0383 Screening compound: N~3~-{[1-(3-chlorobenzyl)-4-piperidyl]methyl}-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide

G213-0383 Screening compound: N~3~-{[1-(3-chlorobenzyl)-4-piperidyl]methyl}-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide
G213-0383 Screening compound: N~3~-{[1-(3-chlorobenzyl)-4-piperidyl]methyl}-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G213-0383
N~3~-{[1-(3-chlorobenzyl)-4-piperidyl]methyl}-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

G213-0383

Molecular Formula

C23H24ClN3O2S (C23 H24 ClN3 O2 S)

Compound Name

N~3~-{[1-(3-chlorobenzyl)-4-piperidyl]methyl}-4,5-dihydrothieno[2,3-g][1,2]benzisoxazole-3-carboxamide

IUPAC name

N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-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)NCC1CCN(Cc2cccc(Cl)c2)CC1

InChI

InChI=1S/C23H24ClN3O2S/c24-17-3-1-2-16(12-17)14-27-9-6-15(7-10-27)13-25-23(28)21-19-4-5-20-18(8-11-30-20)22(19)29-26-21/h1-3,8,11-12,15H,4-7,9-10,13-14H2,(H,25,28)

InChI Key

SDESNGVDDPWYKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14987017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.715

Distribution Coefficient, logD

2.899

Water Solubility, LogSw

-4.84

Polar Surface Area

51.484

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

9.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

G213-0383 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

CNS Targets (44014 compounds)

MCL1 Targeted Library (12200 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G213-0383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G213-0383?
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What is the minimum amount of G213-0383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G213-0383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G213-0383
  • 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 G213-0383 available by request