F855-0082 Screening compound: 1-{[1-(butan-2-yl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}-N-(4-chloro-2-fluorophenyl)piperidine-4-carboxamide

F855-0082 Screening compound: 1-{[1-(butan-2-yl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}-N-(4-chloro-2-fluorophenyl)piperidine-4-carboxamide
F855-0082 Screening compound: 1-{[1-(butan-2-yl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}-N-(4-chloro-2-fluorophenyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F855-0082
1-{[1-(butan-2-yl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}-N-(4-chloro-2-fluorophenyl)piperidine-4-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

F855-0082

Molecular Formula

C22H25ClFN5O3S (C22 H25 ClFN5 O3 S)

Compound Name

1-{[1-(butan-2-yl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}-N-(4-chloro-2-fluorophenyl)piperidine-4-carboxamide

IUPAC name

1-{[1-(butan-2-yl)-1H-123-benzotriazol-5-yl]sulfonyl}-N-(4-chloro-2-fluorophenyl)piperidine-4-carboxamide

SMILES

CCC(C)n1nnc2c1ccc(S(N(CC1)CCC1C(Nc(ccc(Cl)c1)c1F)=O)(=O)=O)c2

InChI

InChI=1S/C22H25ClFN5O3S/c1-3-14(2)29-21-7-5-17(13-20(21)26-27-29)33(31,32)28-10-8-15(9-11-28)22(30)25-19-6-4-16(23)12-18(19)24/h4-7,12-15H,3,8-11H2,1-2H3,(H,25,30)/t14-/m0/s1

InChI Key

OAXZKOPMNGDMGP-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14968158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.99

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.031

Distribution Coefficient, logD

3.989

Water Solubility, LogSw

-4.36

Polar Surface Area

80.093

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

F855-0082 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F855-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F855-0082?
Check Price and Availability of F855-0082, 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 F855-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F855-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F855-0082
  • 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 F855-0082 available by request