G213-0329 Screening compound: 1'-(4,5-DIHYDROTHIENO[2,3-G][1,2]BENZISOXAZOL-3-YLCARBONYL)-1,4'-BIPIPERIDINE-4'-CARBOXAMIDE

G213-0329 Screening compound: 1'-(4,5-DIHYDROTHIENO[2,3-G][1,2]BENZISOXAZOL-3-YLCARBONYL)-1,4'-BIPIPERIDINE-4'-CARBOXAMIDE
G213-0329 Screening compound: 1'-(4,5-DIHYDROTHIENO[2,3-G][1,2]BENZISOXAZOL-3-YLCARBONYL)-1,4'-BIPIPERIDINE-4'-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound G213-0329
1'-(4,5-DIHYDROTHIENO[2,3-G][1,2]BENZISOXAZOL-3-YLCARBONYL)-1,4'-BIPIPERIDINE-4'-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

G213-0329

Molecular Formula

C21H26N4O3S (C21 H26 N4 O3 S)

Compound Name

1'-(4,5-DIHYDROTHIENO[2,3-G][1,2]BENZISOXAZOL-3-YLCARBONYL)-1,4'-BIPIPERIDINE-4'-CARBOXAMIDE

IUPAC name

n/a

SMILES

NC(C(CC1)(CCN1C(c1noc-2c1CCc1c2ccs1)=O)N1CCCCC1)=O

InChI

InChI=1S/C21H26N4O3S/c22-20(27)21(25-9-2-1-3-10-25)7-11-24(12-8-21)19(26)17-15-4-5-16-14(6-13-29-16)18(15)28-23-17/h6,13H,1-5,7-12H2,(H2,22,27)

InChI Key

LFGNMXZFCFXGKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14986992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.488

Distribution Coefficient, logD

1.414

Water Solubility, LogSw

-2.76

Polar Surface Area

77.122

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

8.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

G213-0329 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Soluble Diversity Library (15920 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G213-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G213-0329?
Check Price and Availability of G213-0329, 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 G213-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G213-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G213-0329
  • 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 G213-0329 available by request