L515-0451 Screening compound: 1-(3-methoxybenzoyl)-N-{[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methyl}piperidine-4-carboxamide

L515-0451 Screening compound: 1-(3-methoxybenzoyl)-N-{[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methyl}piperidine-4-carboxamide
L515-0451 Screening compound: 1-(3-methoxybenzoyl)-N-{[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L515-0451
1-(3-methoxybenzoyl)-N-{[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methyl}piperidine-4-carboxamide

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

L515-0451

Molecular Formula

C22H23N3O3S2 (C22 H23 N3 O3 S2)

Compound Name

1-(3-methoxybenzoyl)-N-{[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methyl}piperidine-4-carboxamide

IUPAC name

1-(3-methoxybenzoyl)-N-{[2-(thiophen-2-yl)-13-thiazol-4-yl]methyl}piperidine-4-carboxamide

SMILES

COc1cccc(C(N(CC2)CCC2C(NCc2csc(-c3cccs3)n2)=O)=O)c1

InChI

InChI=1S/C22H23N3O3S2/c1-28-18-5-2-4-16(12-18)22(27)25-9-7-15(8-10-25)20(26)23-13-17-14-30-21(24-17)19-6-3-11-29-19/h2-6,11-12,14-15H,7-10,13H2,1H3,(H,23,26)

InChI Key

DLEHSFZQUACSTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15129054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.301

Distribution Coefficient, logD

3.301

Water Solubility, LogSw

-3.51

Polar Surface Area

60.091

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

L515-0451 in Drug Discovery

Included in Screening Libraries

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

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 L515-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L515-0451?
Check Price and Availability of L515-0451, 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 L515-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L515-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L515-0451
  • 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 L515-0451 available by request