L251-1044 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl}acetamide

L251-1044 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl}acetamide
L251-1044 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L251-1044
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{1-[2-(4-fluorophenyl)-4-methyl-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

L251-1044

Molecular Formula

C26H26FN3O4S (C26 H26 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(N2CCC(CC(NCc(cc3)cc4c3OCO4)=O)CC2)=O)sc(-c(cc2)ccc2F)n1

InChI

InChI=1S/C26H26FN3O4S/c1-16-24(35-25(29-16)19-3-5-20(27)6-4-19)26(32)30-10-8-17(9-11-30)13-23(31)28-14-18-2-7-21-22(12-18)34-15-33-21/h2-7,12,17H,8-11,13-15H2,1H3,(H,28,31)

InChI Key

JGVLKUQLJUBDLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27238154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.57

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

4.433

Distribution Coefficient, logD

4.433

Water Solubility, LogSw

-4.34

Polar Surface Area

68.513

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

L251-1044 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L251-1044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L251-1044?
Check Price and Availability of L251-1044, 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 L251-1044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L251-1044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L251-1044
  • 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 L251-1044 available by request