L445-0077 Screening compound: N-(butan-2-yl)-1-[4-(3-methoxybenzenesulfonamido)benzoyl]piperidine-4-carboxamide

L445-0077 Screening compound: N-(butan-2-yl)-1-[4-(3-methoxybenzenesulfonamido)benzoyl]piperidine-4-carboxamide
L445-0077 Screening compound: N-(butan-2-yl)-1-[4-(3-methoxybenzenesulfonamido)benzoyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L445-0077
N-(butan-2-yl)-1-[4-(3-methoxybenzenesulfonamido)benzoyl]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

L445-0077

Molecular Formula

C24H31N3O5S (C24 H31 N3 O5 S)

Compound Name

N-(butan-2-yl)-1-[4-(3-methoxybenzenesulfonamido)benzoyl]piperidine-4-carboxamide

IUPAC name

N-(butan-2-yl)-1-[4-(3-methoxybenzenesulfonamido)benzoyl]piperidine-4-carboxamide

SMILES

CCC(C)NC(C(CC1)CCN1C(c(cc1)ccc1NS(c1cc(OC)ccc1)(=O)=O)=O)=O

InChI

InChI=1S/C24H31N3O5S/c1-4-17(2)25-23(28)18-12-14-27(15-13-18)24(29)19-8-10-20(11-9-19)26-33(30,31)22-7-5-6-21(16-22)32-3/h5-11,16-18,26H,4,12-15H2,1-3H3,(H,25,28)/t17-/m0/s1

InChI Key

ZHHRXBJZGURIGZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD15127710

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

473.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.467

Distribution Coefficient, logD

2.003

Water Solubility, LogSw

-2.96

Polar Surface Area

89.206

Acid Dissociation Constant (pKa)

7.12

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

L445-0077 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L445-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L445-0077?
Check Price and Availability of L445-0077, 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 L445-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L445-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L445-0077
  • 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 L445-0077 available by request