L444-0190 Screening compound: 1-[4-(3-methoxybenzenesulfonamido)benzoyl]-N-(prop-2-en-1-yl)piperidine-3-carboxamide

L444-0190 Screening compound: 1-[4-(3-methoxybenzenesulfonamido)benzoyl]-N-(prop-2-en-1-yl)piperidine-3-carboxamide
L444-0190 Screening compound: 1-[4-(3-methoxybenzenesulfonamido)benzoyl]-N-(prop-2-en-1-yl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L444-0190
1-[4-(3-methoxybenzenesulfonamido)benzoyl]-N-(prop-2-en-1-yl)piperidine-3-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

L444-0190

Molecular Formula

C23H27N3O5S (C23 H27 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(S(Nc(cc2)ccc2C(N(CCC2)CC2C(NCC=C)=O)=O)(=O)=O)c1

InChI

InChI=1S/C23H27N3O5S/c1-3-13-24-22(27)18-6-5-14-26(16-18)23(28)17-9-11-19(12-10-17)25-32(29,30)21-8-4-7-20(15-21)31-2/h3-4,7-12,15,18,25H,1,5-6,13-14,16H2,2H3,(H,24,27)/t18-/m0/s1

InChI Key

XPVLXWCHVDDISH-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27252868

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

457.55

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

2.011

Distribution Coefficient, logD

1.547

Water Solubility, LogSw

-2.77

Polar Surface Area

89.540

Acid Dissociation Constant (pKa)

7.12

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

L444-0190 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L444-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L444-0190?
Check Price and Availability of L444-0190, 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 L444-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L444-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L444-0190
  • 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 L444-0190 available by request