3335-1051 Screening compound: 1-(4-bromobenzenesulfonyl)piperidine-4-carboxylic acid

3335-1051 Screening compound: 1-(4-bromobenzenesulfonyl)piperidine-4-carboxylic acid
3335-1051 Screening compound: 1-(4-bromobenzenesulfonyl)piperidine-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3335-1051
1-(4-bromobenzenesulfonyl)piperidine-4-carboxylic acid

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

3335-1051

Molecular Formula

C12H14BrNO4S (C12 H14 BrNO4 S)

Compound Name

1-(4-bromobenzenesulfonyl)piperidine-4-carboxylic acid

IUPAC name

1-(4-bromobenzenesulfonyl)piperidine-4-carboxylic acid

SMILES

OC(C(CC1)CCN1S(c(cc1)ccc1Br)(=O)=O)=O

InChI

InChI=1S/C12H14BrNO4S/c13-10-1-3-11(4-2-10)19(17,18)14-7-5-9(6-8-14)12(15)16/h1-4,9H,5-8H2,(H,15,16)

InChI Key

VMVQMTHMVVRANM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02331440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.22

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.756

Distribution Coefficient, logD

-0.804

Water Solubility, LogSw

-2.42

Polar Surface Area

60.358

Acid Dissociation Constant (pKa)

4.84

Base Dissociation Constant (pKb)

-4.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

3335-1051 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3335-1051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3335-1051?
Check Price and Availability of 3335-1051, 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 3335-1051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3335-1051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3335-1051
  • 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 3335-1051 available by request