L676-1422 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-9-(2,4-dimethylbenzenesulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine

L676-1422 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-9-(2,4-dimethylbenzenesulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
L676-1422 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-9-(2,4-dimethylbenzenesulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound L676-1422
N-[(2H-1,3-benzodioxol-5-yl)methyl]-9-(2,4-dimethylbenzenesulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine

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

L676-1422

Molecular Formula

C24H30N4O4S (C24 H30 N4 O4 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-9-(2,4-dimethylbenzenesulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-9-(24-dimethylbenzenesulfonyl)-149-triazaspiro[5.5]undec-4-en-5-amine

SMILES

Cc(cc1)cc(C)c1S(N(CC1)CCC11NCCN=C1NCc(cc1)cc2c1OCO2)(=O)=O

InChI

InChI=1S/C24H30N4O4S/c1-17-3-6-22(18(2)13-17)33(29,30)28-11-7-24(8-12-28)23(25-9-10-27-24)26-15-19-4-5-20-21(14-19)32-16-31-20/h3-6,13-14,27H,7-12,15-16H2,1-2H3,(H,25,26)

InChI Key

ZCRPQYKCVONOQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27468588

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

470.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.342

Distribution Coefficient, logD

-0.432

Water Solubility, LogSw

-3.51

Polar Surface Area

81.481

Acid Dissociation Constant (pKa)

16.21

Base Dissociation Constant (pKb)

11.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

L676-1422 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

TLR-8 ligands Library (674 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Female
  • Skin
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with L676-1422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L676-1422?
Check Price and Availability of L676-1422, 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 L676-1422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L676-1422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L676-1422
  • 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 L676-1422 available by request