L517-0108 Screening compound: N1-(3-chloro-4-methylphenyl)-N4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide

L517-0108 Screening compound: N1-(3-chloro-4-methylphenyl)-N4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide
L517-0108 Screening compound: N1-(3-chloro-4-methylphenyl)-N4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L517-0108
N1-(3-chloro-4-methylphenyl)-N4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide

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

L517-0108

Molecular Formula

C19H23ClN4O2S (C19 H23 ClN4 O2 S)

Compound Name

N1-(3-chloro-4-methylphenyl)-N4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide

IUPAC name

N1-(3-chloro-4-methylphenyl)-N4-[(2-methyl-13-thiazol-4-yl)methyl]piperidine-14-dicarboxamide

SMILES

Cc1nc(CNC(C(CC2)CCN2C(Nc2cc(Cl)c(C)cc2)=O)=O)cs1

InChI

InChI=1S/C19H23ClN4O2S/c1-12-3-4-15(9-17(12)20)23-19(26)24-7-5-14(6-8-24)18(25)21-10-16-11-27-13(2)22-16/h3-4,9,11,14H,5-8,10H2,1-2H3,(H,21,25)(H,23,26)

InChI Key

CMJWBIPEWNICIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15129154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.538

Distribution Coefficient, logD

3.538

Water Solubility, LogSw

-3.82

Polar Surface Area

60.428

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

L517-0108 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L517-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L517-0108?
Check Price and Availability of L517-0108, 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 L517-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L517-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L517-0108
  • 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 L517-0108 available by request