F859-0235 Screening compound: N-methyl-N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-1-(propan-2-yl)-1H-1,2,3-benzotriazole-5-sulfonamide

F859-0235 Screening compound: N-methyl-N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-1-(propan-2-yl)-1H-1,2,3-benzotriazole-5-sulfonamide
F859-0235 Screening compound: N-methyl-N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-1-(propan-2-yl)-1H-1,2,3-benzotriazole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F859-0235
N-methyl-N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-1-(propan-2-yl)-1H-1,2,3-benzotriazole-5-sulfonamide

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

F859-0235

Molecular Formula

C21H27N7O3S (C21 H27 N7 O3 S)

Compound Name

N-methyl-N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-1-(propan-2-yl)-1H-1,2,3-benzotriazole-5-sulfonamide

IUPAC name

N-methyl-N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-1-(propan-2-yl)-1H-123-benzotriazole-5-sulfonamide

SMILES

CC(C)n1nnc2c1ccc(S(N(C)CC(N(CC1)CCN1c1ncccc1)=O)(=O)=O)c2

InChI

InChI=1S/C21H27N7O3S/c1-16(2)28-19-8-7-17(14-18(19)23-24-28)32(30,31)25(3)15-21(29)27-12-10-26(11-13-27)20-6-4-5-9-22-20/h4-9,14,16H,10-13,15H2,1-3H3

InChI Key

FHTSCHXXNQMGNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14968340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.839

Distribution Coefficient, logD

1.830

Water Solubility, LogSw

-2.60

Polar Surface Area

87.133

Acid Dissociation Constant (pKa)

23.00

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

F859-0235 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F859-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F859-0235?
Check Price and Availability of F859-0235, 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 F859-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F859-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F859-0235
  • 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 F859-0235 available by request