4478-4817 Screening compound: 3-{[4-(piperidine-1-sulfonyl)phenyl]carbamoyl}propanoic acid

4478-4817 Screening compound: 3-{[4-(piperidine-1-sulfonyl)phenyl]carbamoyl}propanoic acid
4478-4817 Screening compound: 3-{[4-(piperidine-1-sulfonyl)phenyl]carbamoyl}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-4817
3-{[4-(piperidine-1-sulfonyl)phenyl]carbamoyl}propanoic 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

4478-4817

Molecular Formula

C15H20N2O5S (C15 H20 N2 O5 S)

Compound Name

3-{[4-(piperidine-1-sulfonyl)phenyl]carbamoyl}propanoic acid

IUPAC name

3-{[4-(piperidine-1-sulfonyl)phenyl]carbamoyl}propanoic acid

SMILES

OC(CCC(Nc(cc1)ccc1S(N1CCCCC1)(=O)=O)=O)=O

InChI

InChI=1S/C15H20N2O5S/c18-14(8-9-15(19)20)16-12-4-6-13(7-5-12)23(21,22)17-10-2-1-3-11-17/h4-7H,1-3,8-11H2,(H,16,18)(H,19,20)

InChI Key

TXKJRBUZNKEHNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01903150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.887

Distribution Coefficient, logD

-2.063

Water Solubility, LogSw

-2.37

Polar Surface Area

83.483

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

4478-4817 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with 4478-4817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-4817?
Check Price and Availability of 4478-4817, 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 4478-4817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-4817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-4817
  • 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 4478-4817 available by request