3506-0134 Screening compound: 4-bromo-N-[(furan-2-yl)methyl]-3-(piperidine-1-sulfonyl)benzamide

3506-0134 Screening compound: 4-bromo-N-[(furan-2-yl)methyl]-3-(piperidine-1-sulfonyl)benzamide
3506-0134 Screening compound: 4-bromo-N-[(furan-2-yl)methyl]-3-(piperidine-1-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3506-0134
4-bromo-N-[(furan-2-yl)methyl]-3-(piperidine-1-sulfonyl)benzamide

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

3506-0134

Molecular Formula

C17H19BrN2O4S (C17 H19 BrN2 O4 S)

Compound Name

4-bromo-N-[(furan-2-yl)methyl]-3-(piperidine-1-sulfonyl)benzamide

IUPAC name

4-bromo-N-[(furan-2-yl)methyl]-3-(piperidine-1-sulfonyl)benzamide

SMILES

O=C(c(cc1)cc(S(N2CCCCC2)(=O)=O)c1Br)NCc1ccco1

InChI

InChI=1S/C17H19BrN2O4S/c18-15-7-6-13(17(21)19-12-14-5-4-10-24-14)11-16(15)25(22,23)20-8-2-1-3-9-20/h4-7,10-11H,1-3,8-9,12H2,(H,19,21)

InChI Key

ROEMTLQTMPDWON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01203117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.294

Distribution Coefficient, logD

3.293

Water Solubility, LogSw

-3.63

Polar Surface Area

64.111

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

-4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

3506-0134 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3506-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3506-0134?
Check Price and Availability of 3506-0134, 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 3506-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3506-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3506-0134
  • 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 3506-0134 available by request