5641-2464 Screening compound: 1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid

5641-2464 Screening compound: 1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid
5641-2464 Screening compound: 1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5641-2464
1-(3,4,5-trimethoxybenzoyl)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

5641-2464

Molecular Formula

C16H21NO6 (C16 H21 NO6)

Compound Name

1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid

IUPAC name

1-(345-trimethoxybenzoyl)piperidine-4-carboxylic acid

SMILES

COc1cc(C(N(CC2)CCC2C(O)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C16H21NO6/c1-21-12-8-11(9-13(22-2)14(12)23-3)15(18)17-6-4-10(5-7-17)16(19)20/h8-10H,4-7H2,1-3H3,(H,19,20)

InChI Key

PDXJCZICGBWZOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03015385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.308

Distribution Coefficient, logD

-2.245

Water Solubility, LogSw

-1.12

Polar Surface Area

68.273

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

5641-2464 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 5641-2464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5641-2464?
Check Price and Availability of 5641-2464, 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 5641-2464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5641-2464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5641-2464
  • 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 5641-2464 available by request