L444-0051 Screening compound: N~3~-isopropyl-1-(4-{[(3-methoxyphenyl)sulfonyl]amino}benzoyl)-3-piperidinecarboxamide

L444-0051 Screening compound: N~3~-isopropyl-1-(4-{[(3-methoxyphenyl)sulfonyl]amino}benzoyl)-3-piperidinecarboxamide
L444-0051 Screening compound: N~3~-isopropyl-1-(4-{[(3-methoxyphenyl)sulfonyl]amino}benzoyl)-3-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L444-0051
N~3~-isopropyl-1-(4-{[(3-methoxyphenyl)sulfonyl]amino}benzoyl)-3-piperidinecarboxamide

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

L444-0051

Molecular Formula

C23H29N3O5S (C23 H29 N3 O5 S)

Compound Name

N~3~-isopropyl-1-(4-{[(3-methoxyphenyl)sulfonyl]amino}benzoyl)-3-piperidinecarboxamide

IUPAC name

n/a

SMILES

CC(C)NC(C(CCC1)CN1C(c(cc1)ccc1NS(c1cc(OC)ccc1)(=O)=O)=O)=O

InChI

InChI=1S/C23H29N3O5S/c1-16(2)24-22(27)18-6-5-13-26(15-18)23(28)17-9-11-19(12-10-17)25-32(29,30)21-8-4-7-20(14-21)31-3/h4,7-12,14,16,18,25H,5-6,13,15H2,1-3H3,(H,24,27)/t18-/m0/s1

InChI Key

QYDNXWCFAJDSFQ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27252847

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

459.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.210

Distribution Coefficient, logD

1.746

Water Solubility, LogSw

-2.86

Polar Surface Area

88.673

Acid Dissociation Constant (pKa)

7.12

Base Dissociation Constant (pKb)

4.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

L444-0051 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L444-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L444-0051?
Check Price and Availability of L444-0051, 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 L444-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L444-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L444-0051
  • 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 L444-0051 available by request