L676-0162 Screening compound: N-[(3-chloro-4-fluorophenyl)methyl]-9-(4-fluorobenzenesulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine

L676-0162 Screening compound: N-[(3-chloro-4-fluorophenyl)methyl]-9-(4-fluorobenzenesulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
L676-0162 Screening compound: N-[(3-chloro-4-fluorophenyl)methyl]-9-(4-fluorobenzenesulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound L676-0162
N-[(3-chloro-4-fluorophenyl)methyl]-9-(4-fluorobenzenesulfonyl)-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

L676-0162

Molecular Formula

C21H23ClF2N4O2S (C21 H23 ClF2 N4 O2 S)

Compound Name

N-[(3-chloro-4-fluorophenyl)methyl]-9-(4-fluorobenzenesulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine

IUPAC name

N-[(3-chloro-4-fluorophenyl)methyl]-9-(4-fluorobenzenesulfonyl)-149-triazaspiro[5.5]undec-4-en-5-amine

SMILES

O=S(c(cc1)ccc1F)(N(CC1)CCC11NCCN=C1NCc(cc1)cc(Cl)c1F)=O

InChI

InChI=1S/C21H23ClF2N4O2S/c22-18-13-15(1-6-19(18)24)14-26-20-21(27-10-9-25-20)7-11-28(12-8-21)31(29,30)17-4-2-16(23)3-5-17/h1-6,13,27H,7-12,14H2,(H,25,26)

InChI Key

GHKWBRBAWXMOMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27468420

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

468.95

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

3.230

Distribution Coefficient, logD

-0.544

Water Solubility, LogSw

-3.61

Polar Surface Area

64.366

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

11.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

L676-0162 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with L676-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L676-0162?
Check Price and Availability of L676-0162, 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 L676-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L676-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L676-0162
  • 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 L676-0162 available by request