8017-4490 Screening compound: (3-bromophenyl)[4-(piperidinosulfonyl)piperazino]methanone

8017-4490 Screening compound: (3-bromophenyl)[4-(piperidinosulfonyl)piperazino]methanone
8017-4490 Screening compound: (3-bromophenyl)[4-(piperidinosulfonyl)piperazino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4490
(3-bromophenyl)[4-(piperidinosulfonyl)piperazino]methanone

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

8017-4490

Molecular Formula

C16H22BrN3O3S (C16 H22 BrN3 O3 S)

Compound Name

(3-bromophenyl)[4-(piperidinosulfonyl)piperazino]methanone

IUPAC name

1-(3-bromobenzoyl)-4-(piperidine-1-sulfonyl)piperazine

SMILES

O=C(c1cccc(Br)c1)N(CC1)CCN1S(N1CCCCC1)(=O)=O

InChI

InChI=1S/C16H22BrN3O3S/c17-15-6-4-5-14(13-15)16(21)18-9-11-20(12-10-18)24(22,23)19-7-2-1-3-8-19/h4-6,13H,1-3,7-12H2

InChI Key

ZGVNKBHFRKUUKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.930

Distribution Coefficient, logD

1.930

Water Solubility, LogSw

-2.43

Polar Surface Area

50.811

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

-2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.25

8017-4490 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8017-4490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4490?
Check Price and Availability of 8017-4490, 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 8017-4490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4490
  • 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 8017-4490 available by request