5641-2457 Screening compound: 1-(3,4-dimethoxybenzoyl)piperidine-4-carboxylic acid

5641-2457 Screening compound: 1-(3,4-dimethoxybenzoyl)piperidine-4-carboxylic acid
5641-2457 Screening compound: 1-(3,4-dimethoxybenzoyl)piperidine-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5641-2457
1-(3,4-dimethoxybenzoyl)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

5641-2457

Molecular Formula

C15H19NO5 (C15 H19 NO5)

Compound Name

1-(3,4-dimethoxybenzoyl)piperidine-4-carboxylic acid

IUPAC name

1-(34-dimethoxybenzoyl)piperidine-4-carboxylic acid

SMILES

COc(ccc(C(N(CC1)CCC1C(O)=O)=O)c1)c1OC

InChI

InChI=1S/C15H19NO5/c1-20-12-4-3-11(9-13(12)21-2)14(17)16-7-5-10(6-8-16)15(18)19/h3-4,9-10H,5-8H2,1-2H3,(H,18,19)

InChI Key

GAKOEWXKEAHTES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02180279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.133

Distribution Coefficient, logD

-2.420

Water Solubility, LogSw

-1.50

Polar Surface Area

60.556

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

5641-2457 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5641-2457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5641-2457?
Check Price and Availability of 5641-2457, 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 5641-2457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5641-2457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5641-2457
  • 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 5641-2457 available by request