C155-0473 Screening compound: 1-(4-methylbenzenesulfonyl)piperidine-2-carboxylic acid

C155-0473 Screening compound: 1-(4-methylbenzenesulfonyl)piperidine-2-carboxylic acid
C155-0473 Screening compound: 1-(4-methylbenzenesulfonyl)piperidine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C155-0473
1-(4-methylbenzenesulfonyl)piperidine-2-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

C155-0473

Molecular Formula

C13H17NO4S (C13 H17 NO4 S)

Compound Name

1-(4-methylbenzenesulfonyl)piperidine-2-carboxylic acid

IUPAC name

1-(4-methylbenzenesulfonyl)piperidine-2-carboxylic acid

SMILES

Cc(cc1)ccc1S(N(CCCC1)C1C(O)=O)(=O)=O

InChI

InChI=1S/C13H17NO4S/c1-10-5-7-11(8-6-10)19(17,18)14-9-3-2-4-12(14)13(15)16/h5-8,12H,2-4,9H2,1H3,(H,15,16)/t12-/m0/s1

InChI Key

GCWLCINIEOOJGU-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD00726296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.35

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

1.682

Distribution Coefficient, logD

-2.050

Water Solubility, LogSw

-2.47

Polar Surface Area

60.828

Acid Dissociation Constant (pKa)

3.67

Base Dissociation Constant (pKb)

-5.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

C155-0473 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C155-0473 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C155-0473?
Check Price and Availability of C155-0473, 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 C155-0473 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C155-0473
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C155-0473
  • 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 C155-0473 available by request