F855-0106 Screening compound: 1-{[1-(butan-2-yl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide

F855-0106 Screening compound: 1-{[1-(butan-2-yl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
F855-0106 Screening compound: 1-{[1-(butan-2-yl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F855-0106
1-{[1-(butan-2-yl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}-N-[(2-fluorophenyl)methyl]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

F855-0106

Molecular Formula

C23H28FN5O3S (C23 H28 FN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)n1nnc2c1ccc(S(N(CC1)CCC1C(NCc(cccc1)c1F)=O)(=O)=O)c2

InChI

InChI=1S/C23H28FN5O3S/c1-3-16(2)29-22-9-8-19(14-21(22)26-27-29)33(31,32)28-12-10-17(11-13-28)23(30)25-15-18-6-4-5-7-20(18)24/h4-9,14,16-17H,3,10-13,15H2,1-2H3,(H,25,30)/t16-/m0/s1

InChI Key

FLGBSRAUMIGETP-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14968171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.174

Distribution Coefficient, logD

3.174

Water Solubility, LogSw

-3.44

Polar Surface Area

82.113

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

F855-0106 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with F855-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F855-0106?
Check Price and Availability of F855-0106, 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 F855-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F855-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F855-0106
  • 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 F855-0106 available by request