5701-0231 Screening compound: 4-{[2-(piperidine-1-carbonyl)phenyl]carbamoyl}butanoic acid

5701-0231 Screening compound: 4-{[2-(piperidine-1-carbonyl)phenyl]carbamoyl}butanoic acid
5701-0231 Screening compound: 4-{[2-(piperidine-1-carbonyl)phenyl]carbamoyl}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5701-0231
4-{[2-(piperidine-1-carbonyl)phenyl]carbamoyl}butanoic 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

5701-0231

Molecular Formula

C17H22N2O4 (C17 H22 N2 O4)

Compound Name

4-{[2-(piperidine-1-carbonyl)phenyl]carbamoyl}butanoic acid

IUPAC name

4-{[2-(piperidine-1-carbonyl)phenyl]carbamoyl}butanoic acid

SMILES

OC(CCCC(Nc(cccc1)c1C(N1CCCCC1)=O)=O)=O

InChI

InChI=1S/C17H22N2O4/c20-15(9-6-10-16(21)22)18-14-8-3-2-7-13(14)17(23)19-11-4-1-5-12-19/h2-3,7-8H,1,4-6,9-12H2,(H,18,20)(H,21,22)

InChI Key

NRTVVWXITIPWIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02764838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.826

Distribution Coefficient, logD

-1.771

Water Solubility, LogSw

-2.20

Polar Surface Area

67.722

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

5701-0231 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Others
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5701-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5701-0231?
Check Price and Availability of 5701-0231, 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 5701-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5701-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5701-0231
  • 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 5701-0231 available by request