L676-1396 Screening compound: N-[(4-chlorophenyl)methyl]-9-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine

L676-1396 Screening compound: N-[(4-chlorophenyl)methyl]-9-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
L676-1396 Screening compound: N-[(4-chlorophenyl)methyl]-9-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound L676-1396
N-[(4-chlorophenyl)methyl]-9-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-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

L676-1396

Molecular Formula

C25H31ClN4O2S (C25 H31 ClN4 O2 S)

Compound Name

N-[(4-chlorophenyl)methyl]-9-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine

IUPAC name

N-[(4-chlorophenyl)methyl]-9-(5678-tetrahydronaphthalene-2-sulfonyl)-149-triazaspiro[5.5]undec-4-en-5-amine

SMILES

O=S(c1cc(CCCC2)c2cc1)(N(CC1)CCC11NCCN=C1NCc(cc1)ccc1Cl)=O

InChI

InChI=1S/C25H31ClN4O2S/c26-22-8-5-19(6-9-22)18-28-24-25(29-14-13-27-24)11-15-30(16-12-25)33(31,32)23-10-7-20-3-1-2-4-21(20)17-23/h5-10,17,29H,1-4,11-16,18H2,(H,27,28)

InChI Key

VYJBNKALUARFGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27468576

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

487.07

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.522

Distribution Coefficient, logD

0.748

Water Solubility, LogSw

-4.69

Polar Surface Area

64.286

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

11.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

L676-1396 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 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

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Female
  • Skin
  • Immune system
Targets:
  • Kinases
  • Proteases
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L676-1396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L676-1396?
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What is the minimum amount of L676-1396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L676-1396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L676-1396
  • 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 L676-1396 available by request