L676-0980 Screening compound: N-[(4-fluorophenyl)methyl]-9-(2-methylbenzenesulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine

L676-0980 Screening compound: N-[(4-fluorophenyl)methyl]-9-(2-methylbenzenesulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
L676-0980 Screening compound: N-[(4-fluorophenyl)methyl]-9-(2-methylbenzenesulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound L676-0980
N-[(4-fluorophenyl)methyl]-9-(2-methylbenzenesulfonyl)-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

L676-0980

Molecular Formula

C22H27FN4O2S (C22 H27 FN4 O2 S)

Compound Name

N-[(4-fluorophenyl)methyl]-9-(2-methylbenzenesulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine

IUPAC name

N-[(4-fluorophenyl)methyl]-9-(2-methylbenzenesulfonyl)-149-triazaspiro[5.5]undec-4-en-5-amine

SMILES

Cc(cccc1)c1S(N(CC1)CCC11NCCN=C1NCc(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C22H27FN4O2S/c1-17-4-2-3-5-20(17)30(28,29)27-14-10-22(11-15-27)21(24-12-13-26-22)25-16-18-6-8-19(23)9-7-18/h2-9,26H,10-16H2,1H3,(H,24,25)

InChI Key

FUIWOWLLHOWGNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27468519

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

430.55

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

2.742

Distribution Coefficient, logD

-1.032

Water Solubility, LogSw

-3.13

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

40.90

L676-0980 in Drug Discovery

Included in Screening Libraries

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 L676-0980 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L676-0980?
Check Price and Availability of L676-0980, 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 L676-0980 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L676-0980
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L676-0980
  • 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 L676-0980 available by request