F856-0116 Screening compound: N-[2-(azepan-1-yl)ethyl]-1-[(1-propyl-1H-1,2,3-benzotriazol-5-yl)sulfonyl]piperidine-3-carboxamide

F856-0116 Screening compound: N-[2-(azepan-1-yl)ethyl]-1-[(1-propyl-1H-1,2,3-benzotriazol-5-yl)sulfonyl]piperidine-3-carboxamide
F856-0116 Screening compound: N-[2-(azepan-1-yl)ethyl]-1-[(1-propyl-1H-1,2,3-benzotriazol-5-yl)sulfonyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F856-0116
N-[2-(azepan-1-yl)ethyl]-1-[(1-propyl-1H-1,2,3-benzotriazol-5-yl)sulfonyl]piperidine-3-carboxamide

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

F856-0116

Molecular Formula

C23H36N6O3S (C23 H36 N6 O3 S)

Compound Name

N-[2-(azepan-1-yl)ethyl]-1-[(1-propyl-1H-1,2,3-benzotriazol-5-yl)sulfonyl]piperidine-3-carboxamide

IUPAC name

N-[2-(azepan-1-yl)ethyl]-1-[(1-propyl-1H-123-benzotriazol-5-yl)sulfonyl]piperidine-3-carboxamide

SMILES

CCCn1nnc2c1ccc(S(N(CCC1)CC1C(NCCN1CCCCCC1)=O)(=O)=O)c2

InChI

InChI=1S/C23H36N6O3S/c1-2-12-29-22-10-9-20(17-21(22)25-26-29)33(31,32)28-15-7-8-19(18-28)23(30)24-11-16-27-13-5-3-4-6-14-27/h9-10,17,19H,2-8,11-16,18H2,1H3,(H,24,30)/t19-/m0/s1

InChI Key

NHGAFTNBVGEDJU-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14968239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.193

Distribution Coefficient, logD

0.411

Water Solubility, LogSw

-2.75

Polar Surface Area

86.127

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

69.60

F856-0116 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Infections
  • Immune system
  • animal
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F856-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F856-0116?
Check Price and Availability of F856-0116, 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 F856-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F856-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F856-0116
  • 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 F856-0116 available by request