F514-0227 Screening compound: 3-[5-(piperidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one

F514-0227 Screening compound: 3-[5-(piperidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one
F514-0227 Screening compound: 3-[5-(piperidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F514-0227
3-[5-(piperidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one

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

F514-0227

Molecular Formula

C23H29N7O3S (C23 H29 N7 O3 S)

Compound Name

3-[5-(piperidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one

IUPAC name

3-[5-(piperidine-1-sulfonyl)-1H-123-benzotriazol-1-yl]-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one

SMILES

O=C(CCn1nnc2c1ccc(S(N1CCCCC1)(=O)=O)c2)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C23H29N7O3S/c31-23(28-16-14-27(15-17-28)22-6-2-3-10-24-22)9-13-30-21-8-7-19(18-20(21)25-26-30)34(32,33)29-11-4-1-5-12-29/h2-3,6-8,10,18H,1,4-5,9,11-17H2

InChI Key

OQUYKRYZXYBVKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27171462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.59

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

1.891

Distribution Coefficient, logD

1.882

Water Solubility, LogSw

-2.44

Polar Surface Area

85.518

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

F514-0227 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 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 F514-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F514-0227?
Check Price and Availability of F514-0227, 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 F514-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F514-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F514-0227
  • 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 F514-0227 available by request