L517-0198 Screening compound: N1-(3-methoxyphenyl)-N4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide

L517-0198 Screening compound: N1-(3-methoxyphenyl)-N4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide
L517-0198 Screening compound: N1-(3-methoxyphenyl)-N4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L517-0198
N1-(3-methoxyphenyl)-N4-[(2-phenyl-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

L517-0198

Molecular Formula

C24H26N4O3S (C24 H26 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(NC(N(CC2)CCC2C(NCc2csc(-c3ccccc3)n2)=O)=O)c1

InChI

InChI=1S/C24H26N4O3S/c1-31-21-9-5-8-19(14-21)27-24(30)28-12-10-17(11-13-28)22(29)25-15-20-16-32-23(26-20)18-6-3-2-4-7-18/h2-9,14,16-17H,10-13,15H2,1H3,(H,25,29)(H,27,30)

InChI Key

XDNJMUNGBKQXMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15129176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.787

Distribution Coefficient, logD

3.787

Water Solubility, LogSw

-3.94

Polar Surface Area

67.894

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

L517-0198 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with L517-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L517-0198?
Check Price and Availability of L517-0198, 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 L517-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L517-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L517-0198
  • 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 L517-0198 available by request