L441-0258 Screening compound: 1-{4-[(4-chlorobenzoyl)amino]benzoyl}-N-(2-methoxyethyl)-3-piperidinecarboxamide

L441-0258 Screening compound: 1-{4-[(4-chlorobenzoyl)amino]benzoyl}-N-(2-methoxyethyl)-3-piperidinecarboxamide
L441-0258 Screening compound: 1-{4-[(4-chlorobenzoyl)amino]benzoyl}-N-(2-methoxyethyl)-3-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L441-0258
1-{4-[(4-chlorobenzoyl)amino]benzoyl}-N-(2-methoxyethyl)-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

L441-0258

Molecular Formula

C23H26ClN3O4 (C23 H26 ClN3 O4)

Compound Name

1-{4-[(4-chlorobenzoyl)amino]benzoyl}-N-(2-methoxyethyl)-3-piperidinecarboxamide

IUPAC name

1-[4-(4-chlorobenzamido)benzoyl]-N-(2-methoxyethyl)piperidine-3-carboxamide

SMILES

COCCNC(C(CCC1)CN1C(c(cc1)ccc1NC(c(cc1)ccc1Cl)=O)=O)=O

InChI

InChI=1S/C23H26ClN3O4/c1-31-14-12-25-21(28)18-3-2-13-27(15-18)23(30)17-6-10-20(11-7-17)26-22(29)16-4-8-19(24)9-5-16/h4-11,18H,2-3,12-15H2,1H3,(H,25,28)(H,26,29)/t18-/m0/s1

InChI Key

UWHBJVFYQWHDJU-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27252797

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

443.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.355

Distribution Coefficient, logD

2.272

Water Solubility, LogSw

-3.41

Polar Surface Area

72.780

Acid Dissociation Constant (pKa)

8.08

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.78

L441-0258 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L441-0258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L441-0258?
Check Price and Availability of L441-0258, 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 L441-0258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L441-0258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L441-0258
  • 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 L441-0258 available by request