L251-0041 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl}acetamide

L251-0041 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl}acetamide
L251-0041 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L251-0041
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl}acetamide

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

L251-0041

Molecular Formula

C27H29N3O4S (C27 H29 N3 O4 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl}acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-{1-[4-methyl-2-(4-methylphenyl)-13-thiazole-5-carbonyl]piperidin-4-yl}acetamide

SMILES

Cc1c(C(N2CCC(CC(NCc(cc3)cc4c3OCO4)=O)CC2)=O)sc(-c2ccc(C)cc2)n1

InChI

InChI=1S/C27H29N3O4S/c1-17-3-6-21(7-4-17)26-29-18(2)25(35-26)27(32)30-11-9-19(10-12-30)14-24(31)28-15-20-5-8-22-23(13-20)34-16-33-22/h3-8,13,19H,9-12,14-16H2,1-2H3,(H,28,31)

InChI Key

VUAIHAYYTORYRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27644540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.828

Distribution Coefficient, logD

4.828

Water Solubility, LogSw

-4.68

Polar Surface Area

68.513

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

L251-0041 in Drug Discovery

Included in Screening Libraries

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system

References: we are preparing a list of scientific research reports with L251-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L251-0041?
Check Price and Availability of L251-0041, 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 L251-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L251-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L251-0041
  • 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 L251-0041 available by request