F855-0118 Screening compound: 1-[(1-propyl-1H-1,2,3-benzotriazol-5-yl)sulfonyl]-N~4~-(2-pyridylmethyl)-4-piperidinecarboxamide

F855-0118 Screening compound: 1-[(1-propyl-1H-1,2,3-benzotriazol-5-yl)sulfonyl]-N~4~-(2-pyridylmethyl)-4-piperidinecarboxamide
F855-0118 Screening compound: 1-[(1-propyl-1H-1,2,3-benzotriazol-5-yl)sulfonyl]-N~4~-(2-pyridylmethyl)-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F855-0118
1-[(1-propyl-1H-1,2,3-benzotriazol-5-yl)sulfonyl]-N~4~-(2-pyridylmethyl)-4-piperidinecarboxamide

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

F855-0118

Molecular Formula

C21H26N6O3S (C21 H26 N6 O3 S)

Compound Name

1-[(1-propyl-1H-1,2,3-benzotriazol-5-yl)sulfonyl]-N~4~-(2-pyridylmethyl)-4-piperidinecarboxamide

IUPAC name

n/a

SMILES

CCCn1nnc2c1ccc(S(N(CC1)CCC1C(NCc1ncccc1)=O)(=O)=O)c2

InChI

InChI=1S/C21H26N6O3S/c1-2-11-27-20-7-6-18(14-19(20)24-25-27)31(29,30)26-12-8-16(9-13-26)21(28)23-15-17-5-3-4-10-22-17/h3-7,10,14,16H,2,8-9,11-13,15H2,1H3,(H,23,28)

InChI Key

GTYAJBZBBWXZRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14968177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.452

Distribution Coefficient, logD

1.452

Water Solubility, LogSw

-2.61

Polar Surface Area

91.582

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

F855-0118 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Proteases
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F855-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F855-0118?
Check Price and Availability of F855-0118, 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 F855-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F855-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F855-0118
  • 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 F855-0118 available by request