8018-8685 Screening compound: 1-ethyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid

8018-8685 Screening compound: 1-ethyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
8018-8685 Screening compound: 1-ethyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8685
1-ethyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-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

8018-8685

Molecular Formula

C15H19NO4 (C15 H19 NO4)

Compound Name

1-ethyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid

IUPAC name

(2R3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid

SMILES

CCN([C@@H]([C@H](CC1)C(O)=O)c(cccc2)c2OC)C1=O

InChI

InChI=1S/C15H19NO4/c1-3-16-13(17)9-8-11(15(18)19)14(16)10-6-4-5-7-12(10)20-2/h4-7,11,14H,3,8-9H2,1-2H3,(H,18,19)/t11-,14-/m1/s1

InChI Key

GKZIJOUYZWYCFA-BXUZGUMPSA-N

MDL Number (MFCD)

MFCD08445342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.476

Distribution Coefficient, logD

-0.664

Water Solubility, LogSw

-2.56

Polar Surface Area

52.235

Acid Dissociation Constant (pKa)

5.26

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.67

8018-8685 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Fragment Library (4274 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8018-8685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8685?
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What is the minimum amount of 8018-8685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8685
  • 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 8018-8685 available by request